C992-0046 Screening compound: 4-ethyl-N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide

C992-0046 Screening compound: 4-ethyl-N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide
C992-0046 Screening compound: 4-ethyl-N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C992-0046
4-ethyl-N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide

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

C992-0046

Molecular Formula

C14H15N3O2S2 (C14 H15 N3 O2 S2)

Compound Name

4-ethyl-N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide

IUPAC name

4-ethyl-N-({imidazo[21-b][13]thiazol-6-yl}methyl)benzene-1-sulfonamide

SMILES

CCc(cc1)ccc1S(NCc1cn(ccs2)c2n1)(=O)=O

InChI

InChI=1S/C14H15N3O2S2/c1-2-11-3-5-13(6-4-11)21(18,19)15-9-12-10-17-7-8-20-14(17)16-12/h3-8,10,15H,2,9H2,1H3

InChI Key

AOZQERFGQOPFRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.29

Polar Surface Area

53.384

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C992-0046 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C992-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C992-0046?
Check Price and Availability of C992-0046, 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 C992-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C992-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C992-0046
  • 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 C992-0046 available by request