C224-4174 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

C224-4174 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
C224-4174 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C224-4174
3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)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

C224-4174

Molecular Formula

C16H15BrN2O4S3 (C16 H15 BrN2 O4 S3)

Compound Name

3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

IUPAC name

3-[(5-bromothiophen-2-yl)sulfonyl]-N-(6-ethoxy-13-benzothiazol-2-yl)propanamide

SMILES

CCOc(cc1)cc2c1nc(NC(CCS(c(s1)ccc1Br)(=O)=O)=O)s2

InChI

InChI=1S/C16H15BrN2O4S3/c1-2-23-10-3-4-11-12(9-10)24-16(18-11)19-14(20)7-8-26(21,22)15-6-5-13(17)25-15/h3-6,9H,2,7-8H2,1H3,(H,18,19,20)

InChI Key

SRYUJTFJKNERMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.24

Polar Surface Area

70.056

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C224-4174 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C224-4174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C224-4174?
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What is the minimum amount of C224-4174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C224-4174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C224-4174
  • 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 C224-4174 available by request