8010-2876 Screening compound: 2-methylbut-3-yn-2-yl 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoate

8010-2876 Screening compound: 2-methylbut-3-yn-2-yl 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoate
8010-2876 Screening compound: 2-methylbut-3-yn-2-yl 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2876
2-methylbut-3-yn-2-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

8010-2876

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

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

IUPAC name

2-methylbut-3-yn-2-yl 4-[(13-benzothiazol-2-yl)carbamoyl]butanoate

SMILES

CC(C)(C#C)OC(CCCC(Nc1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C17H18N2O3S/c1-4-17(2,3)22-15(21)11-7-10-14(20)19-16-18-12-8-5-6-9-13(12)23-16/h1,5-6,8-9H,7,10-11H2,2-3H3,(H,18,19,20)

InChI Key

GLEMXTXVZGUROH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

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

2.828

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-3.44

Polar Surface Area

52.300

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8010-2876 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 8010-2876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2876?
Check Price and Availability of 8010-2876, 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 8010-2876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2876
  • 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 8010-2876 available by request