C200-4996 Screening compound: N-(3-{1-[3-chloro-4-(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)furan-2-carboxamide

C200-4996 Screening compound: N-(3-{1-[3-chloro-4-(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)furan-2-carboxamide
C200-4996 Screening compound: N-(3-{1-[3-chloro-4-(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4996
N-(3-{1-[3-chloro-4-(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)furan-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

C200-4996

Molecular Formula

C17H10ClF3N6O2S (C17 H10 ClF3 N6 O2 S)

Compound Name

N-(3-{1-[3-chloro-4-(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)furan-2-carboxamide

IUPAC name

N-(3-{1-[3-chloro-4-(trifluoromethyl)phenyl]-5-methyl-1H-123-triazol-4-yl}-124-thiadiazol-5-yl)furan-2-carboxamide

SMILES

Cc1c(-c2nsc(NC(c3ccco3)=O)n2)nnn1-c1cc(Cl)c(C(F)(F)F)cc1

InChI

InChI=1S/C17H10ClF3N6O2S/c1-8-13(14-22-16(30-25-14)23-15(28)12-3-2-6-29-12)24-26-27(8)9-4-5-10(11(18)7-9)17(19,20)21/h2-7H,1H3,(H,22,23,25,28)

InChI Key

WJFXYXOKOJMKKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.72

Polar Surface Area

79.339

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C200-4996 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C200-4996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4996?
Check Price and Availability of C200-4996, 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 C200-4996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4996
  • 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 C200-4996 available by request