8462-0098 Screening compound: 2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

8462-0098 Screening compound: 2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
8462-0098 Screening compound: 2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8462-0098
2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-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

8462-0098

Molecular Formula

C17H16N6O2S2 (C17 H16 N6 O2 S2)

Compound Name

2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-{2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

NC(c1c(NC(CSc2nnnn2-c2ccccc2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C17H16N6O2S2/c18-15(25)14-11-7-4-8-12(11)27-16(14)19-13(24)9-26-17-20-21-22-23(17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,18,25)(H,19,24)

InChI Key

GTOLEMVNFVMTQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.310

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-2.12

Polar Surface Area

97.178

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8462-0098 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8462-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8462-0098?
Check Price and Availability of 8462-0098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8462-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8462-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8462-0098
  • 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 8462-0098 available by request