8009-7453 Screening compound: 5-{2-[(4-bromophenyl)sulfanyl]ethyl}-1,3,4-thiadiazol-2-amine

8009-7453 Screening compound: 5-{2-[(4-bromophenyl)sulfanyl]ethyl}-1,3,4-thiadiazol-2-amine
8009-7453 Screening compound: 5-{2-[(4-bromophenyl)sulfanyl]ethyl}-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7453
5-{2-[(4-bromophenyl)sulfanyl]ethyl}-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

8009-7453

Molecular Formula

C10H10BrN3S2 (C10 H10 BrN3 S2)

Compound Name

5-{2-[(4-bromophenyl)sulfanyl]ethyl}-1,3,4-thiadiazol-2-amine

IUPAC name

5-{2-[(4-bromophenyl)sulfanyl]ethyl}-134-thiadiazol-2-amine

SMILES

Nc1nnc(CCSc(cc2)ccc2Br)s1

InChI

InChI=1S/C10H10BrN3S2/c11-7-1-3-8(4-2-7)15-6-5-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)

InChI Key

XERKURIAUACIDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.14

Polar Surface Area

44.764

Acid Dissociation Constant (pKa)

17.95

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8009-7453 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Human Proteases Annotated Library (2868 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-7453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7453?
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What is the minimum amount of 8009-7453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7453
  • 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 8009-7453 available by request