C992-0051 Screening compound: N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)-4-methoxy-3-methylbenzene-1-sulfonamide

C992-0051 Screening compound: N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)-4-methoxy-3-methylbenzene-1-sulfonamide
C992-0051 Screening compound: N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)-4-methoxy-3-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C992-0051
N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)-4-methoxy-3-methylbenzene-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

C992-0051

Molecular Formula

C14H15N3O3S2 (C14 H15 N3 O3 S2)

Compound Name

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

IUPAC name

N-({imidazo[21-b][13]thiazol-6-yl}methyl)-4-methoxy-3-methylbenzene-1-sulfonamide

SMILES

Cc(cc(cc1)S(NCc2cn(ccs3)c3n2)(=O)=O)c1OC

InChI

InChI=1S/C14H15N3O3S2/c1-10-7-12(3-4-13(10)20-2)22(18,19)15-8-11-9-17-5-6-21-14(17)16-11/h3-7,9,15H,8H2,1-2H3

InChI Key

JFDDOSMFGTVDBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-2.75

Polar Surface Area

61.014

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C992-0051 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 C992-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C992-0051?
Check Price and Availability of C992-0051, 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 C992-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C992-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C992-0051
  • 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 C992-0051 available by request