C137-2264 Screening compound: methyl 4-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate

C137-2264 Screening compound: methyl 4-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate
C137-2264 Screening compound: methyl 4-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2264
methyl 4-(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

C137-2264

Molecular Formula

C20H19BrN2O5S (C20 H19 BrN2 O5 S)

Compound Name

methyl 4-(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate

IUPAC name

methyl 4-(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indole-6-sulfonamido)benzoate

SMILES

COC(c(cc1)ccc1NS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)=O

InChI

InChI=1S/C20H19BrN2O5S/c1-28-20(25)13-4-6-15(7-5-13)22-29(26,27)18-11-17-14(10-16(18)21)8-9-23(17)19(24)12-2-3-12/h4-7,10-12,22H,2-3,8-9H2,1H3

InChI Key

YYFFHPYPOJEOGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-4.17

Polar Surface Area

78.264

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C137-2264 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 C137-2264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2264?
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What is the minimum amount of C137-2264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2264
  • 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 C137-2264 available by request