3401-5424 Screening compound: (2E)-N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-phenylprop-2-enamide

3401-5424 Screening compound: (2E)-N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-phenylprop-2-enamide
3401-5424 Screening compound: (2E)-N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3401-5424
(2E)-N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-phenylprop-2-enamide

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

3401-5424

Molecular Formula

C23H16ClN3O2 (C23 H16 ClN3 O2)

Compound Name

(2E)-N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[2-(3-chlorophenyl)-4-oxo-34-dihydroquinazolin-3-yl]-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)NN(C(c1cccc(Cl)c1)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C23H16ClN3O2/c24-18-10-6-9-17(15-18)22-25-20-12-5-4-11-19(20)23(29)27(22)26-21(28)14-13-16-7-2-1-3-8-16/h1-15H,(H,26,28)

InChI Key

KTWXJBAUKTZOMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.53

Polar Surface Area

51.538

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3401-5424 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3401-5424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3401-5424?
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What is the minimum amount of 3401-5424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3401-5424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3401-5424
  • 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 3401-5424 available by request