1945-0028 Screening compound: N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-phenylquinazolin-2-amine

1945-0028 Screening compound: N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-phenylquinazolin-2-amine
1945-0028 Screening compound: N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-phenylquinazolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1945-0028
N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-phenylquinazolin-2-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

1945-0028

Molecular Formula

C27H17Cl2N3O (C27 H17 Cl2 N3 O)

Compound Name

N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-phenylquinazolin-2-amine

IUPAC name

N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-phenylquinazolin-2-amine

SMILES

O=C(c1ccccc1)c(cc(cc1)Cl)c1Nc1nc(-c2ccccc2)c(cc(cc2)Cl)c2n1

InChI

InChI=1S/C27H17Cl2N3O/c28-19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)32-27(30-23)31-24-14-12-20(29)16-22(24)26(33)18-9-5-2-6-10-18/h1-16H,(H,30,31,32)

InChI Key

SDOKYBZUHILOAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01365537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.015

Distribution Coefficient, logD

8.015

Water Solubility, LogSw

-6.68

Polar Surface Area

41.839

Acid Dissociation Constant (pKa)

17.01

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1945-0028 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1945-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1945-0028?
Check Price and Availability of 1945-0028, 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 1945-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1945-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1945-0028
  • 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 1945-0028 available by request