C991-0096 Screening compound: N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)thiophene-2-carboxamide

C991-0096 Screening compound: N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)thiophene-2-carboxamide
C991-0096 Screening compound: N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C991-0096
N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)thiophene-2-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

C991-0096

Molecular Formula

C12H11N3OS2 (C12 H11 N3 OS2)

Compound Name

N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)thiophene-2-carboxamide

IUPAC name

N-({3-methylimidazo[21-b][13]thiazol-6-yl}methyl)thiophene-2-carboxamide

SMILES

Cc1csc2nc(CNC(c3cccs3)=O)cn12

InChI

InChI=1S/C12H11N3OS2/c1-8-7-18-12-14-9(6-15(8)12)5-13-11(16)10-3-2-4-17-10/h2-4,6-7H,5H2,1H3,(H,13,16)

InChI Key

XJPWWYIXLPMTJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05907812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.41

Polar Surface Area

35.864

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C991-0096 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C991-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C991-0096?
Check Price and Availability of C991-0096, 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 C991-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C991-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C991-0096
  • 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 C991-0096 available by request