C256-0712 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1-(4-methylbenzenesulfonyl)cyclopropane-1-carboxamide

C256-0712 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1-(4-methylbenzenesulfonyl)cyclopropane-1-carboxamide
C256-0712 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1-(4-methylbenzenesulfonyl)cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C256-0712
N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1-(4-methylbenzenesulfonyl)cyclopropane-1-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

C256-0712

Molecular Formula

C26H21ClN2O5S (C26 H21 ClN2 O5 S)

Compound Name

N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1-(4-methylbenzenesulfonyl)cyclopropane-1-carboxamide

IUPAC name

N-[4-(5-chloro-13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1-(4-methylbenzenesulfonyl)cyclopropane-1-carboxamide

SMILES

Cc(cc1)ccc1S(C1(CC1)C(Nc(cc1)cc(C)c1N(C(c(cc1)c2cc1Cl)=O)C2=O)=O)(=O)=O

InChI

InChI=1S/C26H21ClN2O5S/c1-15-3-7-19(8-4-15)35(33,34)26(11-12-26)25(32)28-18-6-10-22(16(2)13-18)29-23(30)20-9-5-17(27)14-21(20)24(29)31/h3-10,13-14H,11-12H2,1-2H3,(H,28,32)

InChI Key

JAWQEEDGGCUVCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.80

Polar Surface Area

81.694

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C256-0712 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C256-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C256-0712?
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What is the minimum amount of C256-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C256-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C256-0712
  • 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 C256-0712 available by request