P772-0013 Screening compound: 7-chloro-2-[(1E)-2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-N-[5-(diethylamino)pentan-2-yl]quinazolin-4-amine

P772-0013 Screening compound: 7-chloro-2-[(1E)-2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-N-[5-(diethylamino)pentan-2-yl]quinazolin-4-amine
P772-0013 Screening compound: 7-chloro-2-[(1E)-2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-N-[5-(diethylamino)pentan-2-yl]quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P772-0013
7-chloro-2-[(1E)-2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-N-[5-(diethylamino)pentan-2-yl]quinazolin-4-amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P772-0013

Molecular Formula

C27H34Cl2N4O2 (C27 H34 Cl2 N4 O2)

Compound Name

7-chloro-2-[(1E)-2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-N-[5-(diethylamino)pentan-2-yl]quinazolin-4-amine

IUPAC name

7-chloro-2-[(1E)-2-(2-chloro-45-dimethoxyphenyl)ethenyl]-N-[5-(diethylamino)pentan-2-yl]quinazolin-4-amine

SMILES

CCN(CC)CCCC(C)Nc1nc(/C=C/c(cc(c(OC)c2)OC)c2Cl)nc2cc(Cl)ccc12

InChI

InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/t18-/m0/s1

InChI Key

ZEHGJPVTWNYYHP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27614775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.704

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-6.55

Polar Surface Area

48.503

Acid Dissociation Constant (pKa)

16.51

Base Dissociation Constant (pKb)

10.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

P772-0013 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with P772-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P772-0013?
Check Price and Availability of P772-0013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P772-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P772-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P772-0013
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P772-0013 available by request