C094-0359 Screening compound: 2-{N-[(furan-2-yl)methyl]-2-(1H-indol-3-yl)acetamido}-N,2-bis(4-methoxyphenyl)acetamide

C094-0359 Screening compound: 2-{N-[(furan-2-yl)methyl]-2-(1H-indol-3-yl)acetamido}-N,2-bis(4-methoxyphenyl)acetamide
C094-0359 Screening compound: 2-{N-[(furan-2-yl)methyl]-2-(1H-indol-3-yl)acetamido}-N,2-bis(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0359
2-{N-[(furan-2-yl)methyl]-2-(1H-indol-3-yl)acetamido}-N,2-bis(4-methoxyphenyl)acetamide

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

C094-0359

Molecular Formula

C31H29N3O5 (C31 H29 N3 O5)

Compound Name

2-{N-[(furan-2-yl)methyl]-2-(1H-indol-3-yl)acetamido}-N,2-bis(4-methoxyphenyl)acetamide

IUPAC name

2-{N-[(furan-2-yl)methyl]-2-(1H-indol-3-yl)acetamido}-N2-bis(4-methoxyphenyl)acetamide

SMILES

COc1ccc(C(C(Nc(cc2)ccc2OC)=O)N(Cc2ccco2)C(Cc2c[nH]c3c2cccc3)=O)cc1

InChI

InChI=1S/C31H29N3O5/c1-37-24-13-9-21(10-14-24)30(31(36)33-23-11-15-25(38-2)16-12-23)34(20-26-6-5-17-39-26)29(35)18-22-19-32-28-8-4-3-7-27(22)28/h3-17,19,30,32H,18,20H2,1-2H3,(H,33,36)/t30-/m1/s1

InChI Key

KJZQDQMWSKOCQR-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03449812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.341

Distribution Coefficient, logD

5.341

Water Solubility, LogSw

-5.65

Polar Surface Area

70.433

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

C094-0359 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 C094-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0359?
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What is the minimum amount of C094-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0359
  • 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 C094-0359 available by request