8003-0605 Screening compound: (3E)-N-(3,4-dichlorophenyl)-3-{[(4-hydroxyphenyl)formamido]imino}butanamide

8003-0605 Screening compound: (3E)-N-(3,4-dichlorophenyl)-3-{[(4-hydroxyphenyl)formamido]imino}butanamide
8003-0605 Screening compound: (3E)-N-(3,4-dichlorophenyl)-3-{[(4-hydroxyphenyl)formamido]imino}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0605
(3E)-N-(3,4-dichlorophenyl)-3-{[(4-hydroxyphenyl)formamido]imino}butanamide

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

8003-0605

Molecular Formula

C17H15Cl2N3O3 (C17 H15 Cl2 N3 O3)

Compound Name

(3E)-N-(3,4-dichlorophenyl)-3-{[(4-hydroxyphenyl)formamido]imino}butanamide

IUPAC name

(3E)-N-(34-dichlorophenyl)-3-{[(4-hydroxyphenyl)formamido]imino}butanamide

SMILES

C/C(/CC(Nc(cc1)cc(Cl)c1Cl)=O)=N\NC(c(cc1)ccc1O)=O

InChI

InChI=1S/C17H15Cl2N3O3/c1-10(21-22-17(25)11-2-5-13(23)6-3-11)8-16(24)20-12-4-7-14(18)15(19)9-12/h2-7,9,23H,8H2,1H3,(H,20,24)(H,22,25)

InChI Key

VYOFUIDLRGJACO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00471361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-3.74

Polar Surface Area

75.689

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8003-0605 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0605?
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What is the minimum amount of 8003-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0605
  • 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 8003-0605 available by request