2296-0100 Screening compound: 6-chloro-2-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline

2296-0100 Screening compound: 6-chloro-2-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline
2296-0100 Screening compound: 6-chloro-2-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2296-0100
6-chloro-2-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline

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

2296-0100

Molecular Formula

C30H22ClN5O3 (C30 H22 ClN5 O3)

Compound Name

6-chloro-2-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline

IUPAC name

6-chloro-2-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-45-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline

SMILES

COc(cc1)ccc1C(CC1c2cc([N+]([O-])=O)ccc2)=NN1c1nc(-c2ccccc2)c(cc(cc2)Cl)c2n1

InChI

InChI=1S/C30H22ClN5O3/c1-39-24-13-10-19(11-14-24)27-18-28(21-8-5-9-23(16-21)36(37)38)35(34-27)30-32-26-15-12-22(31)17-25(26)29(33-30)20-6-3-2-4-7-20/h2-17,28H,18H2,1H3/t28-/m0/s1

InChI Key

XEUHWBYJVWPJPD-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01828793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.018

Distribution Coefficient, logD

8.017

Water Solubility, LogSw

-6.65

Polar Surface Area

72.556

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

2296-0100 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 2296-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2296-0100?
Check Price and Availability of 2296-0100, 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 2296-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2296-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2296-0100
  • 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 2296-0100 available by request