C761-1314 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-2-(4-methoxyphenyl)acetamide

C761-1314 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-2-(4-methoxyphenyl)acetamide
C761-1314 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1314
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)-2-(4-methoxyphenyl)acetamide

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

C761-1314

Molecular Formula

C22H25NO4S (C22 H25 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1N(C(C1)C=CS1(=O)=O)C(Cc(cc1)ccc1OC)=O

InChI

InChI=1S/C22H25NO4S/c1-16(2)18-6-8-19(9-7-18)23(20-12-13-28(25,26)15-20)22(24)14-17-4-10-21(27-3)11-5-17/h4-13,16,20H,14-15H2,1-3H3/t20-/m0/s1

InChI Key

ULRAKZAFOAOREI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05898771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.89

Polar Surface Area

50.396

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C761-1314 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1314?
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What is the minimum amount of C761-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1314
  • 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 C761-1314 available by request