C137-2435 Screening compound: 1,3-dimethyl 5-(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indole-6-sulfonamido)benzene-1,3-dicarboxylate

C137-2435 Screening compound: 1,3-dimethyl 5-(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indole-6-sulfonamido)benzene-1,3-dicarboxylate
C137-2435 Screening compound: 1,3-dimethyl 5-(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indole-6-sulfonamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2435
1,3-dimethyl 5-(1-acetyl-5-bromo-2-methyl-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

C137-2435

Molecular Formula

C21H21BrN2O7S (C21 H21 BrN2 O7 S)

Compound Name

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

IUPAC name

13-dimethyl 5-(1-acetyl-5-bromo-2-methyl-23-dihydro-1H-indole-6-sulfonamido)benzene-13-dicarboxylate

SMILES

CC(Cc1c2)N(C(C)=O)c1cc(S(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)(=O)=O)c2Br

InChI

InChI=1S/C21H21BrN2O7S/c1-11-5-13-9-17(22)19(10-18(13)24(11)12(2)25)32(28,29)23-16-7-14(20(26)30-3)6-15(8-16)21(27)31-4/h6-11,23H,5H2,1-4H3/t11-/m1/s1

InChI Key

NGPBZGIFZRIYER-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14721821

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

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.695

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-4.15

Polar Surface Area

98.593

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

C137-2435 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 C137-2435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2435?
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What is the minimum amount of C137-2435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2435
  • 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 C137-2435 available by request