V008-0001 Screening compound: N-benzyl-3-[benzyl(7-chloro-2-cyclopropylquinazolin-4-yl)amino]propanamide

V008-0001 Screening compound: N-benzyl-3-[benzyl(7-chloro-2-cyclopropylquinazolin-4-yl)amino]propanamide
V008-0001 Screening compound: N-benzyl-3-[benzyl(7-chloro-2-cyclopropylquinazolin-4-yl)amino]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0001
N-benzyl-3-[benzyl(7-chloro-2-cyclopropylquinazolin-4-yl)amino]propanamide

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

V008-0001

Molecular Formula

C28H27ClN4O (C28 H27 ClN4 O)

Compound Name

N-benzyl-3-[benzyl(7-chloro-2-cyclopropylquinazolin-4-yl)amino]propanamide

IUPAC name

N-benzyl-3-[benzyl(7-chloro-2-cyclopropylquinazolin-4-yl)amino]propanamide

SMILES

O=C(CCN(Cc1ccccc1)c1c(ccc(Cl)c2)c2nc(C2CC2)n1)NCc1ccccc1

InChI

InChI=1S/C28H27ClN4O/c29-23-13-14-24-25(17-23)31-27(22-11-12-22)32-28(24)33(19-21-9-5-2-6-10-21)16-15-26(34)30-18-20-7-3-1-4-8-20/h1-10,13-14,17,22H,11-12,15-16,18-19H2,(H,30,34)

InChI Key

SFHSTBPZVQKTDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19783447

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.257

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-6.24

Polar Surface Area

45.903

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V008-0001 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V008-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0001?
Check Price and Availability of V008-0001, 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 V008-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0001
  • 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 V008-0001 available by request