3072-0045 Screening compound: 6-chloro-2-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline

3072-0045 Screening compound: 6-chloro-2-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline
3072-0045 Screening compound: 6-chloro-2-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3072-0045
6-chloro-2-[3-(4-methoxyphenyl)-5-(4-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

3072-0045

Molecular Formula

C30H22ClN5O3 (C30 H22 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2[N+]([O-])=O)=NN1c1nc(-c2ccccc2)c(cc(cc2)Cl)c2n1

InChI

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

InChI Key

BEGPHWVBNVKZPI-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02049769

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

8.070

Distribution Coefficient, logD

8.069

Water Solubility, LogSw

-6.69

Polar Surface Area

72.556

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

3072-0045 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3072-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3072-0045?
Check Price and Availability of 3072-0045, 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 3072-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3072-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3072-0045
  • 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 3072-0045 available by request