C361-2191 Screening compound: methyl 4-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate

C361-2191 Screening compound: methyl 4-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate
C361-2191 Screening compound: methyl 4-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2191
methyl 4-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-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

C361-2191

Molecular Formula

C22H24N2O6S (C22 H24 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC1)c(cc2)c1cc2S(CCC(Nc(cc1)ccc1C(OC)=O)=O)(=O)=O)=O

InChI

InChI=1S/C22H24N2O6S/c1-3-21(26)24-12-10-16-14-18(8-9-19(16)24)31(28,29)13-11-20(25)23-17-6-4-15(5-7-17)22(27)30-2/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)

InChI Key

YPNVVEZGWSYTBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.374

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-2.99

Polar Surface Area

88.749

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C361-2191 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 C361-2191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2191?
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What is the minimum amount of C361-2191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2191
  • 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 C361-2191 available by request