8017-7072 Screening compound: N-(3-chloro-2-quinoxalinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)amine

8017-7072 Screening compound: N-(3-chloro-2-quinoxalinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)amine
8017-7072 Screening compound: N-(3-chloro-2-quinoxalinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7072
N-(3-chloro-2-quinoxalinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)amine

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

8017-7072

Molecular Formula

C16H11ClN4OS (C16 H11 ClN4 OS)

Compound Name

N-(3-chloro-2-quinoxalinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)amine

IUPAC name

3-chloro-N-(6-methoxy-13-benzothiazol-2-yl)quinoxalin-2-amine

SMILES

COc(cc1)cc2c1nc(Nc1nc3ccccc3nc1Cl)s2

InChI

InChI=1S/C16H11ClN4OS/c1-22-9-6-7-12-13(8-9)23-16(20-12)21-15-14(17)18-10-4-2-3-5-11(10)19-15/h2-8H,1H3,(H,19,20,21)

InChI Key

DRPKNAZHEMVWKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.195

Distribution Coefficient, logD

5.195

Water Solubility, LogSw

-5.75

Polar Surface Area

44.666

Acid Dissociation Constant (pKa)

16.94

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8017-7072 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-7072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7072?
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What is the minimum amount of 8017-7072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7072
  • 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 8017-7072 available by request