K284-1112 Screening compound: 4-chloro-N-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}benzene-1-sulfonamide

K284-1112 Screening compound: 4-chloro-N-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}benzene-1-sulfonamide
K284-1112 Screening compound: 4-chloro-N-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-1112
4-chloro-N-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}benzene-1-sulfonamide

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

K284-1112

Molecular Formula

C22H16ClN3O4S2 (C22 H16 ClN3 O4 S2)

Compound Name

4-chloro-N-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-34-dihydroquinazolin-3-yl}benzene-1-sulfonamide

SMILES

O=C(CSC(N1NS(c(cc2)ccc2Cl)(=O)=O)=Nc(cccc2)c2C1=O)c1ccccc1

InChI

InChI=1S/C22H16ClN3O4S2/c23-16-10-12-17(13-11-16)32(29,30)25-26-21(28)18-8-4-5-9-19(18)24-22(26)31-14-20(27)15-6-2-1-3-7-15/h1-13,25H,14H2

InChI Key

ZFQBDAJPPGPNNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.97

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-4.12

Polar Surface Area

81.106

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

K284-1112 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K284-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-1112?
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What is the minimum amount of K284-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-1112
  • 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 K284-1112 available by request