8019-4976 Screening compound: 3,6-dichloro-N~2~-(2-propyl-2H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide

8019-4976 Screening compound: 3,6-dichloro-N~2~-(2-propyl-2H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide
8019-4976 Screening compound: 3,6-dichloro-N~2~-(2-propyl-2H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4976
3,6-dichloro-N~2~-(2-propyl-2H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide

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

8019-4976

Molecular Formula

C13H11Cl2N5OS (C13 H11 Cl2 N5 OS)

Compound Name

3,6-dichloro-N~2~-(2-propyl-2H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide

IUPAC name

36-dichloro-N-(2-propyl-2H-1234-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

SMILES

CCCn1nnc(NC(c(sc2c3ccc(Cl)c2)c3Cl)=O)n1

InChI

InChI=1S/C13H11Cl2N5OS/c1-2-5-20-18-13(17-19-20)16-12(21)11-10(15)8-4-3-7(14)6-9(8)22-11/h3-4,6H,2,5H2,1H3,(H,16,18,21)

InChI Key

ZMTGISDFGLFEBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04188977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.122

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-4.59

Polar Surface Area

63.835

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8019-4976 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-4976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4976?
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What is the minimum amount of 8019-4976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4976
  • 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 8019-4976 available by request