C137-1297 Screening compound: 1,3-dimethyl 5-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamido)benzene-1,3-dicarboxylate

C137-1297 Screening compound: 1,3-dimethyl 5-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamido)benzene-1,3-dicarboxylate
C137-1297 Screening compound: 1,3-dimethyl 5-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1297
1,3-dimethyl 5-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamido)benzene-1,3-dicarboxylate

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

C137-1297

Molecular Formula

C21H21BrN2O7S (C21 H21 BrN2 O7 S)

Compound Name

1,3-dimethyl 5-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(5-bromo-1-propanoyl-23-dihydro-1H-indole-6-sulfonamido)benzene-13-dicarboxylate

SMILES

CCC(N(CCc1c2)c1cc(S(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)(=O)=O)c2Br)=O

InChI

InChI=1S/C21H21BrN2O7S/c1-4-19(25)24-6-5-12-10-16(22)18(11-17(12)24)32(28,29)23-15-8-13(20(26)30-2)7-14(9-15)21(27)31-3/h7-11,23H,4-6H2,1-3H3

InChI Key

SKJQCHOPQJANCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-4.14

Polar Surface Area

98.659

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

C137-1297 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 C137-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1297?
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What is the minimum amount of C137-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1297
  • 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 C137-1297 available by request