C761-1109 Screening compound: N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-3-(trifluoromethyl)benzamide

C761-1109 Screening compound: N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-3-(trifluoromethyl)benzamide
C761-1109 Screening compound: N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1109
N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-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

C761-1109

Molecular Formula

C20H18F3NO5S (C20 H18 F3 NO5 S)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-3-(trifluoromethyl)benzamide

SMILES

COc(cc1)cc(OC)c1N(C(C1)C=CS1(=O)=O)C(c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C20H18F3NO5S/c1-28-16-6-7-17(18(11-16)29-2)24(15-8-9-30(26,27)12-15)19(25)13-4-3-5-14(10-13)20(21,22)23/h3-11,15H,12H2,1-2H3/t15-/m0/s1

InChI Key

MGQRHHXMWXCAMT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05715309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.58

Polar Surface Area

58.253

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-5.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C761-1109 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 C761-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1109?
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What is the minimum amount of C761-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1109
  • 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 C761-1109 available by request