C137-0149 Screening compound: methyl 4-{3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

C137-0149 Screening compound: methyl 4-{3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate
C137-0149 Screening compound: methyl 4-{3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-0149
methyl 4-{3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}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

C137-0149

Molecular Formula

C21H21BrN2O6S (C21 H21 BrN2 O6 S)

Compound Name

methyl 4-{3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

IUPAC name

methyl 4-{3-[(1-acetyl-5-bromo-23-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

SMILES

CC(N(CCc1c2)c1cc(S(CCC(Nc(cc1)ccc1C(OC)=O)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C21H21BrN2O6S/c1-13(25)24-9-7-15-11-17(22)19(12-18(15)24)31(28,29)10-8-20(26)23-16-5-3-14(4-6-16)21(27)30-2/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)

InChI Key

VAUVANVBLDPVRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.27

Polar Surface Area

89.745

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

C137-0149 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 C137-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-0149?
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What is the minimum amount of C137-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-0149
  • 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 C137-0149 available by request