J033-0131 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

J033-0131 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
J033-0131 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J033-0131
N-(2H-1,3-benzodioxol-5-yl)-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

J033-0131

Molecular Formula

C17H13N3O4S (C17 H13 N3 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide

SMILES

Oc1nc(SCC(Nc(cc2)cc3c2OCO3)=O)nc2ccccc12

InChI

InChI=1S/C17H13N3O4S/c21-15(18-10-5-6-13-14(7-10)24-9-23-13)8-25-17-19-12-4-2-1-3-11(12)16(22)20-17/h1-7H,8-9H2,(H,18,21)(H,19,20,22)

InChI Key

AAGYRUQWSQMMAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

2.740

Water Solubility, LogSw

-3.19

Polar Surface Area

74.200

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with J033-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J033-0131?
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What is the minimum amount of J033-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J033-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J033-0131
  • 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 J033-0131 available by request