3730-1956 Screening compound: methyl 2-{2-[N-(3,4-dimethoxyphenyl)4-methylbenzenesulfonamido]acetamido}benzoate

3730-1956 Screening compound: methyl 2-{2-[N-(3,4-dimethoxyphenyl)4-methylbenzenesulfonamido]acetamido}benzoate
3730-1956 Screening compound: methyl 2-{2-[N-(3,4-dimethoxyphenyl)4-methylbenzenesulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3730-1956
methyl 2-{2-[N-(3,4-dimethoxyphenyl)4-methylbenzenesulfonamido]acetamido}benzoate

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

3730-1956

Molecular Formula

C25H26N2O7S (C25 H26 N2 O7 S)

Compound Name

methyl 2-{2-[N-(3,4-dimethoxyphenyl)4-methylbenzenesulfonamido]acetamido}benzoate

IUPAC name

methyl 2-{2-[N-(34-dimethoxyphenyl)4-methylbenzenesulfonamido]acetamido}benzoate

SMILES

Cc(cc1)ccc1S(N(CC(Nc(cccc1)c1C(OC)=O)=O)c(cc1)cc(OC)c1OC)(=O)=O

InChI

InChI=1S/C25H26N2O7S/c1-17-9-12-19(13-10-17)35(30,31)27(18-11-14-22(32-2)23(15-18)33-3)16-24(28)26-21-8-6-5-7-20(21)25(29)34-4/h5-15H,16H2,1-4H3,(H,26,28)

InChI Key

QMDDBQMNYVMPIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02135546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-3.96

Polar Surface Area

90.678

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3730-1956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3730-1956?
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What is the minimum amount of 3730-1956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3730-1956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3730-1956
  • 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 3730-1956 available by request