8017-3993 Screening compound: 4-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone

8017-3993 Screening compound: 4-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone
8017-3993 Screening compound: 4-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3993
4-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone

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

8017-3993

Molecular Formula

C17H11ClN2O2S (C17 H11 ClN2 O2 S)

Compound Name

4-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone

IUPAC name

4-(3-chloro-1-benzothiophene-2-carbonyl)-1234-tetrahydroquinoxalin-2-one

SMILES

O=C(c(sc1c2cccc1)c2Cl)N(C1)c(cccc2)c2NC1=O

InChI

InChI=1S/C17H11ClN2O2S/c18-15-10-5-1-4-8-13(10)23-16(15)17(22)20-9-14(21)19-11-6-2-3-7-12(11)20/h1-8H,9H2,(H,19,21)

InChI Key

CXBWSPAHSANJFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016529

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

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-4.46

Polar Surface Area

41.132

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8017-3993 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8017-3993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3993?
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What is the minimum amount of 8017-3993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3993
  • 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 8017-3993 available by request