8010-3254 Screening compound: prop-2-yn-1-yl 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoate

8010-3254 Screening compound: prop-2-yn-1-yl 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoate
8010-3254 Screening compound: prop-2-yn-1-yl 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3254
prop-2-yn-1-yl 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoate

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

8010-3254

Molecular Formula

C15H14N2O3S (C15 H14 N2 O3 S)

Compound Name

prop-2-yn-1-yl 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoate

IUPAC name

prop-2-yn-1-yl 4-[(13-benzothiazol-2-yl)carbamoyl]butanoate

SMILES

C#CCOC(CCCC(Nc1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C15H14N2O3S/c1-2-10-20-14(19)9-5-8-13(18)17-15-16-11-6-3-4-7-12(11)21-15/h1,3-4,6-7H,5,8-10H2,(H,16,17,18)

InChI Key

WQVUGHNRHYJLIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00543094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

2.620

Water Solubility, LogSw

-3.09

Polar Surface Area

53.602

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8010-3254 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8010-3254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3254?
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What is the minimum amount of 8010-3254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3254
  • 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 8010-3254 available by request