8003-7367 Screening compound: N-{2-[(2-{[(E)-1-(3,4-dimethoxyphenyl)methylidene]amino}-2-oxoethyl)amino]-2-oxoethyl}benzamide

8003-7367 Screening compound: N-{2-[(2-{[(E)-1-(3,4-dimethoxyphenyl)methylidene]amino}-2-oxoethyl)amino]-2-oxoethyl}benzamide
8003-7367 Screening compound: N-{2-[(2-{[(E)-1-(3,4-dimethoxyphenyl)methylidene]amino}-2-oxoethyl)amino]-2-oxoethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7367
N-{2-[(2-{[(E)-1-(3,4-dimethoxyphenyl)methylidene]amino}-2-oxoethyl)amino]-2-oxoethyl}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

8003-7367

Molecular Formula

C20H21N3O5 (C20 H21 N3 O5)

Compound Name

N-{2-[(2-{[(E)-1-(3,4-dimethoxyphenyl)methylidene]amino}-2-oxoethyl)amino]-2-oxoethyl}benzamide

IUPAC name

N-({[(E)-(34-dimethoxyphenyl)methylidene]carbamoyl}methyl)-2-(phenylformamido)acetamide

SMILES

COc(ccc(/C=N/C(CNC(CNC(c1ccccc1)=O)=O)=O)c1)c1OC

InChI

InChI=1S/C20H21N3O5/c1-27-16-9-8-14(10-17(16)28-2)11-21-18(24)12-22-19(25)13-23-20(26)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26)

InChI Key

YEXOOQHEFVUTAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00736208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.337

Distribution Coefficient, logD

1.337

Water Solubility, LogSw

-2.20

Polar Surface Area

86.748

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8003-7367 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-7367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7367?
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What is the minimum amount of 8003-7367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7367
  • 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 8003-7367 available by request