8017-3946 Screening compound: 4-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-3,4-dihydro-2(1H)-quinoxalinone

8017-3946 Screening compound: 4-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-3,4-dihydro-2(1H)-quinoxalinone
8017-3946 Screening compound: 4-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-3,4-dihydro-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3946
4-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-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

8017-3946

Molecular Formula

C18H13ClN4O3S (C18 H13 ClN4 O3 S)

Compound Name

4-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-3,4-dihydro-2(1H)-quinoxalinone

IUPAC name

4-(2-{[5-(4-chlorophenyl)-134-oxadiazol-2-yl]sulfanyl}acetyl)-1234-tetrahydroquinoxalin-2-one

SMILES

O=C(CSc1nnc(-c(cc2)ccc2Cl)o1)N(C1)c(cccc2)c2NC1=O

InChI

InChI=1S/C18H13ClN4O3S/c19-12-7-5-11(6-8-12)17-21-22-18(26-17)27-10-16(25)23-9-15(24)20-13-3-1-2-4-14(13)23/h1-8H,9-10H2,(H,20,24)

InChI Key

WGTDGDGQNIMVAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.782

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.57

Polar Surface Area

69.955

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8017-3946 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-3946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3946?
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What is the minimum amount of 8017-3946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3946
  • 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 8017-3946 available by request