C137-2140 Screening compound: ethyl 3-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate

C137-2140 Screening compound: ethyl 3-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate
C137-2140 Screening compound: ethyl 3-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2140
ethyl 3-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)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

C137-2140

Molecular Formula

C21H21BrN2O5S (C21 H21 BrN2 O5 S)

Compound Name

ethyl 3-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate

IUPAC name

ethyl 3-(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indole-6-sulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(c(cc(c(CC2)c3)N2C(C2CC2)=O)c3Br)(=O)=O)c1)=O

InChI

InChI=1S/C21H21BrN2O5S/c1-2-29-21(26)15-4-3-5-16(10-15)23-30(27,28)19-12-18-14(11-17(19)22)8-9-24(18)20(25)13-6-7-13/h3-5,10-13,23H,2,6-9H2,1H3

InChI Key

KBNJJJFKTOFJTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.28

Polar Surface Area

77.844

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C137-2140 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C137-2140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2140?
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What is the minimum amount of C137-2140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2140
  • 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 C137-2140 available by request