8013-3035 Screening compound: N~1~-[4-(benzoylamino)-2,5-diethoxyphenyl]-4-(2,5-dimethoxybenzoyl)benzamide

8013-3035 Screening compound: N~1~-[4-(benzoylamino)-2,5-diethoxyphenyl]-4-(2,5-dimethoxybenzoyl)benzamide
8013-3035 Screening compound: N~1~-[4-(benzoylamino)-2,5-diethoxyphenyl]-4-(2,5-dimethoxybenzoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3035
N~1~-[4-(benzoylamino)-2,5-diethoxyphenyl]-4-(2,5-dimethoxybenzoyl)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

8013-3035

Molecular Formula

C33H32N2O7 (C33 H32 N2 O7)

Compound Name

N~1~-[4-(benzoylamino)-2,5-diethoxyphenyl]-4-(2,5-dimethoxybenzoyl)benzamide

IUPAC name

N-(4-benzamido-25-diethoxyphenyl)-4-(25-dimethoxybenzoyl)benzamide

SMILES

CCOc(c(NC(c1ccccc1)=O)c1)cc(NC(c(cc2)ccc2C(c(cc(cc2)OC)c2OC)=O)=O)c1OCC

InChI

InChI=1S/C33H32N2O7/c1-5-41-29-20-27(30(42-6-2)19-26(29)34-32(37)22-10-8-7-9-11-22)35-33(38)23-14-12-21(13-15-23)31(36)25-18-24(39-3)16-17-28(25)40-4/h7-20H,5-6H2,1-4H3,(H,34,37)(H,35,38)

InChI Key

APHPVTUUXUSKPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.542

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-5.53

Polar Surface Area

88.087

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8013-3035 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8013-3035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3035?
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What is the minimum amount of 8013-3035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3035
  • 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 8013-3035 available by request