L921-0331 Screening compound: 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

L921-0331 Screening compound: 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
L921-0331 Screening compound: 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L921-0331
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-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

L921-0331

Molecular Formula

C17H15F3N2O2S3 (C17 H15 F3 N2 O2 S3)

Compound Name

5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

IUPAC name

5-(45-dimethyl-13-thiazol-2-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

SMILES

Cc1c(C)sc(-c2cc(S(Nc3cc(C(F)(F)F)ccc3)(=O)=O)c(C)s2)n1

InChI

InChI=1S/C17H15F3N2O2S3/c1-9-10(2)26-16(21-9)14-8-15(11(3)25-14)27(23,24)22-13-6-4-5-12(7-13)17(18,19)20/h4-8,22H,1-3H3

InChI Key

BFDVUBKHAZRUNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.692

Distribution Coefficient, logD

5.169

Water Solubility, LogSw

-5.69

Polar Surface Area

52.217

Acid Dissociation Constant (pKa)

7.03

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

L921-0331 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L921-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L921-0331?
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What is the minimum amount of L921-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L921-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L921-0331
  • 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 L921-0331 available by request