C274-6063 Screening compound: 2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-phenyl-N-(2-thienylmethyl)propanamide

C274-6063 Screening compound: 2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-phenyl-N-(2-thienylmethyl)propanamide
C274-6063 Screening compound: 2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-phenyl-N-(2-thienylmethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-6063
2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-phenyl-N-(2-thienylmethyl)propanamide

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

C274-6063

Molecular Formula

C18H17BrN2O3S3 (C18 H17 BrN2 O3 S3)

Compound Name

2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-phenyl-N-(2-thienylmethyl)propanamide

IUPAC name

2-(5-bromothiophene-2-sulfonamido)-3-phenyl-N-[(thiophen-2-yl)methyl]propanamide

SMILES

O=C(C(Cc1ccccc1)NS(c(s1)ccc1Br)(=O)=O)NCc1cccs1

InChI

InChI=1S/C18H17BrN2O3S3/c19-16-8-9-17(26-16)27(23,24)21-15(11-13-5-2-1-3-6-13)18(22)20-12-14-7-4-10-25-14/h1-10,15,21H,11-12H2,(H,20,22)/t15-/m0/s1

InChI Key

GSAMDHSXIWYJHV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14740438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.954

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.10

Polar Surface Area

68.291

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

C274-6063 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C274-6063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-6063?
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What is the minimum amount of C274-6063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-6063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-6063
  • 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 C274-6063 available by request