J033-0126 Screening compound: N-(4-chlorophenyl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

J033-0126 Screening compound: N-(4-chlorophenyl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
J033-0126 Screening compound: N-(4-chlorophenyl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J033-0126
N-(4-chlorophenyl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

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

J033-0126

Molecular Formula

C16H12ClN3O2S (C16 H12 ClN3 O2 S)

Compound Name

N-(4-chlorophenyl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-chlorophenyl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

SMILES

Oc1nc(SCC(Nc(cc2)ccc2Cl)=O)nc2ccccc12

InChI

InChI=1S/C16H12ClN3O2S/c17-10-5-7-11(8-6-10)18-14(21)9-23-16-19-13-4-2-1-3-12(13)15(22)20-16/h1-8H,9H2,(H,18,21)(H,19,20,22)

InChI Key

MCZXMAPWDGUZOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.588

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.93

Polar Surface Area

57.085

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

J033-0126 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J033-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J033-0126?
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What is the minimum amount of J033-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J033-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J033-0126
  • 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 J033-0126 available by request