8020-2849 Screening compound: N-cyclopropyl-2-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-1,3-benzothiazole-5-carboxamide

8020-2849 Screening compound: N-cyclopropyl-2-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-1,3-benzothiazole-5-carboxamide
8020-2849 Screening compound: N-cyclopropyl-2-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-1,3-benzothiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2849
N-cyclopropyl-2-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-1,3-benzothiazole-5-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

8020-2849

Molecular Formula

C15H13N3O2S2 (C15 H13 N3 O2 S2)

Compound Name

N-cyclopropyl-2-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-1,3-benzothiazole-5-carboxamide

IUPAC name

N-cyclopropyl-2-{[(12-oxazol-3-yl)methyl]sulfanyl}-13-benzothiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1sc(SCc1nocc1)n2)NC1CC1

InChI

InChI=1S/C15H13N3O2S2/c19-14(16-10-2-3-10)9-1-4-13-12(7-9)17-15(22-13)21-8-11-5-6-20-18-11/h1,4-7,10H,2-3,8H2,(H,16,19)

InChI Key

CIHQSAXBAZADOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12972472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.52

Polar Surface Area

56.155

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

8020-2849 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-2849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2849?
Check Price and Availability of 8020-2849, 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 8020-2849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2849
  • 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 8020-2849 available by request