8019-5921 Screening compound: N~1~-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

8019-5921 Screening compound: N~1~-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
8019-5921 Screening compound: N~1~-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5921
N~1~-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-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

8019-5921

Molecular Formula

C24H17Cl2N5O2S2 (C24 H17 Cl2 N5 O2 S2)

Compound Name

N~1~-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

IUPAC name

N-(4-chlorophenyl)-2-{[7-(3-chlorophenyl)-8-oxo-15-thia-2457-tetraazatetracyclo[7.6.0.0^{26}.0^{1014}]pentadeca-1(9)3510(14)-tetraen-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc(n1-c2c3c(CCC4)c4s2)nnc1N(c1cccc(Cl)c1)C3=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C24H17Cl2N5O2S2/c25-13-7-9-15(10-8-13)27-19(32)12-34-24-29-28-23-30(16-4-1-3-14(26)11-16)21(33)20-17-5-2-6-18(17)35-22(20)31(23)24/h1,3-4,7-11H,2,5-6,12H2,(H,27,32)

InChI Key

MXGCOOUXUCDUFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04015952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.602

Distribution Coefficient, logD

5.602

Water Solubility, LogSw

-6.18

Polar Surface Area

62.588

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8019-5921 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 8019-5921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5921?
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What is the minimum amount of 8019-5921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5921
  • 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 8019-5921 available by request