C761-1341 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-3-(trifluoromethyl)benzamide

C761-1341 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-3-(trifluoromethyl)benzamide
C761-1341 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1341
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-3-(trifluoromethyl)benzamide

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

C761-1341

Molecular Formula

C21H20F3NO3S (C21 H20 F3 NO3 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-3-(trifluoromethyl)benzamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-[4-(propan-2-yl)phenyl]-3-(trifluoromethyl)benzamide

SMILES

CC(C)c(cc1)ccc1N(C(C1)C=CS1(=O)=O)C(c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C21H20F3NO3S/c1-14(2)15-6-8-18(9-7-15)25(19-10-11-29(27,28)13-19)20(26)16-4-3-5-17(12-16)21(22,23)24/h3-12,14,19H,13H2,1-2H3/t19-/m0/s1

InChI Key

BLOLOCBTNVRNRT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05715330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.42

Polar Surface Area

43.379

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C761-1341 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-1341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1341?
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What is the minimum amount of C761-1341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1341
  • 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 C761-1341 available by request