K284-0095 Screening compound: methyl 3-(4-chlorobenzyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxylate

K284-0095 Screening compound: methyl 3-(4-chlorobenzyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxylate
K284-0095 Screening compound: methyl 3-(4-chlorobenzyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0095
methyl 3-(4-chlorobenzyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxylate

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

K284-0095

Molecular Formula

C25H19ClN2O4S (C25 H19 ClN2 O4 S)

Compound Name

methyl 3-(4-chlorobenzyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxylate

IUPAC name

methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-34-dihydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(N=C(N2Cc(cc3)ccc3Cl)SCC(c3ccccc3)=O)c1C2=O)=O

InChI

InChI=1S/C25H19ClN2O4S/c1-32-24(31)18-9-12-20-21(13-18)27-25(33-15-22(29)17-5-3-2-4-6-17)28(23(20)30)14-16-7-10-19(26)11-8-16/h2-13H,14-15H2,1H3

InChI Key

PVSRGZMNYPBZIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02650852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.19

Polar Surface Area

60.192

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with K284-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0095?
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What is the minimum amount of K284-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0095
  • 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 K284-0095 available by request