0488-0102 Screening compound: 5-(2-aminobenzoyl)-1,3,4-thiadiazol-2-amine

0488-0102 Screening compound: 5-(2-aminobenzoyl)-1,3,4-thiadiazol-2-amine
0488-0102 Screening compound: 5-(2-aminobenzoyl)-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0488-0102
5-(2-aminobenzoyl)-1,3,4-thiadiazol-2-amine

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

0488-0102

Molecular Formula

C9H8N4OS (C9 H8 N4 OS)

Compound Name

5-(2-aminobenzoyl)-1,3,4-thiadiazol-2-amine

IUPAC name

5-(2-aminobenzoyl)-134-thiadiazol-2-amine

SMILES

Nc1nnc(C(c(cccc2)c2N)=O)s1

InChI

InChI=1S/C9H8N4OS/c10-6-4-2-1-3-5(6)7(14)8-12-13-9(11)15-8/h1-4H,10H2,(H2,11,13)

InChI Key

GJWJCJUGHWXNFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00578124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.837

Distribution Coefficient, logD

0.837

Water Solubility, LogSw

-2.18

Polar Surface Area

78.104

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0488-0102 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0488-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0488-0102?
Check Price and Availability of 0488-0102, 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 0488-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0488-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0488-0102
  • 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 0488-0102 available by request