C274-3235 Screening compound: ethyl 4-[2-(N-methyl5-bromothiophene-2-sulfonamido)acetamido]benzoate

C274-3235 Screening compound: ethyl 4-[2-(N-methyl5-bromothiophene-2-sulfonamido)acetamido]benzoate
C274-3235 Screening compound: ethyl 4-[2-(N-methyl5-bromothiophene-2-sulfonamido)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-3235
ethyl 4-[2-(N-methyl5-bromothiophene-2-sulfonamido)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

C274-3235

Molecular Formula

C16H17BrN2O5S2 (C16 H17 BrN2 O5 S2)

Compound Name

ethyl 4-[2-(N-methyl5-bromothiophene-2-sulfonamido)acetamido]benzoate

IUPAC name

ethyl 4-[2-(N-methyl5-bromothiophene-2-sulfonamido)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C)S(c(s1)ccc1Br)(=O)=O)=O)=O

InChI

InChI=1S/C16H17BrN2O5S2/c1-3-24-16(21)11-4-6-12(7-5-11)18-14(20)10-19(2)26(22,23)15-9-8-13(17)25-15/h4-9H,3,10H2,1-2H3,(H,18,20)

InChI Key

PFDZQAXAZFNQNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-3.94

Polar Surface Area

77.724

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C274-3235 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C274-3235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-3235?
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What is the minimum amount of C274-3235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-3235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-3235
  • 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 C274-3235 available by request