C137-2485 Screening compound: ethyl 3-(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate

C137-2485 Screening compound: ethyl 3-(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate
C137-2485 Screening compound: ethyl 3-(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indole-6-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2485
ethyl 3-(1-acetyl-5-bromo-2-methyl-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

C137-2485

Molecular Formula

C20H21BrN2O5S (C20 H21 BrN2 O5 S)

Compound Name

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

IUPAC name

ethyl 3-(1-acetyl-5-bromo-2-methyl-23-dihydro-1H-indole-6-sulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(c(cc(c(CC2C)c3)N2C(C)=O)c3Br)(=O)=O)c1)=O

InChI

InChI=1S/C20H21BrN2O5S/c1-4-28-20(25)14-6-5-7-16(9-14)22-29(26,27)19-11-18-15(10-17(19)21)8-12(2)23(18)13(3)24/h5-7,9-12,22H,4,8H2,1-3H3/t12-/m1/s1

InChI Key

NVBGXUDNZRSOGR-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14721837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.37

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

4.128

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.22

Polar Surface Area

76.999

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C137-2485 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 C137-2485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2485?
Check Price and Availability of C137-2485, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C137-2485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2485
  • 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 C137-2485 available by request