C274-0712 Screening compound: 1,3-dimethyl 5-{4-[(thiophene-2-sulfonamido)methyl]cyclohexaneamido}benzene-1,3-dicarboxylate

C274-0712 Screening compound: 1,3-dimethyl 5-{4-[(thiophene-2-sulfonamido)methyl]cyclohexaneamido}benzene-1,3-dicarboxylate
C274-0712 Screening compound: 1,3-dimethyl 5-{4-[(thiophene-2-sulfonamido)methyl]cyclohexaneamido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-0712
1,3-dimethyl 5-{4-[(thiophene-2-sulfonamido)methyl]cyclohexaneamido}benzene-1,3-dicarboxylate

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

C274-0712

Molecular Formula

C22H26N2O7S2 (C22 H26 N2 O7 S2)

Compound Name

1,3-dimethyl 5-{4-[(thiophene-2-sulfonamido)methyl]cyclohexaneamido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{4-[(thiophene-2-sulfonamido)methyl]cyclohexaneamido}benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(C2CCC(CNS(c3cccs3)(=O)=O)CC2)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C22H26N2O7S2/c1-30-21(26)16-10-17(22(27)31-2)12-18(11-16)24-20(25)15-7-5-14(6-8-15)13-23-33(28,29)19-4-3-9-32-19/h3-4,9-12,14-15,23H,5-8,13H2,1-2H3,(H,24,25)

InChI Key

MCCJHLSJWAMJDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-4.32

Polar Surface Area

108.646

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C274-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-0712?
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What is the minimum amount of C274-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-0712
  • 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 C274-0712 available by request