C094-0386 Screening compound: 2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)-N-[4-(propan-2-yl)phenyl]acetamide

C094-0386 Screening compound: 2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)-N-[4-(propan-2-yl)phenyl]acetamide
C094-0386 Screening compound: 2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0386
2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)-N-[4-(propan-2-yl)phenyl]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

C094-0386

Molecular Formula

C29H31N3O3 (C29 H31 N3 O3)

Compound Name

2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(C(c(cc1)ccc1OC)N(C)C(Cc1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C29H31N3O3/c1-19(2)20-9-13-23(14-10-20)31-29(34)28(21-11-15-24(35-4)16-12-21)32(3)27(33)17-22-18-30-26-8-6-5-7-25(22)26/h5-16,18-19,28,30H,17H2,1-4H3,(H,31,34)/t28-/m1/s1

InChI Key

NQNVGXBOMRACHF-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03449825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.74

Polar Surface Area

55.158

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

C094-0386 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C094-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0386?
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What is the minimum amount of C094-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0386
  • 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 C094-0386 available by request