4072-3194 Screening compound: 2-benzamido-N-{1-[N'-(4-methoxybenzoyl)hydrazinecarbonyl]-2-phenylethyl}benzamide

4072-3194 Screening compound: 2-benzamido-N-{1-[N'-(4-methoxybenzoyl)hydrazinecarbonyl]-2-phenylethyl}benzamide
4072-3194 Screening compound: 2-benzamido-N-{1-[N'-(4-methoxybenzoyl)hydrazinecarbonyl]-2-phenylethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-3194
2-benzamido-N-{1-[N'-(4-methoxybenzoyl)hydrazinecarbonyl]-2-phenylethyl}benzamide

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

4072-3194

Molecular Formula

C31H28N4O5 (C31 H28 N4 O5)

Compound Name

2-benzamido-N-{1-[N'-(4-methoxybenzoyl)hydrazinecarbonyl]-2-phenylethyl}benzamide

IUPAC name

2-benzamido-N-{1-[N'-(4-methoxybenzoyl)hydrazinecarbonyl]-2-phenylethyl}benzamide

SMILES

COc(cc1)ccc1C(NNC(C(Cc1ccccc1)NC(c(cccc1)c1NC(c1ccccc1)=O)=O)=O)=O

InChI

InChI=1S/C31H28N4O5/c1-40-24-18-16-23(17-19-24)29(37)34-35-31(39)27(20-21-10-4-2-5-11-21)33-30(38)25-14-8-9-15-26(25)32-28(36)22-12-6-3-7-13-22/h2-19,27H,20H2,1H3,(H,32,36)(H,33,38)(H,34,37)(H,35,39)/t27-/m0/s1

InChI Key

QVRZZNOCDVZICU-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03016243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.11

Polar Surface Area

105.416

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.70

4072-3194 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4072-3194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-3194?
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What is the minimum amount of 4072-3194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-3194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-3194
  • 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 4072-3194 available by request