8004-0248 Screening compound: 4-[(E)-[(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl acetate

8004-0248 Screening compound: 4-[(E)-[(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl acetate
8004-0248 Screening compound: 4-[(E)-[(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0248
4-[(E)-[(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl acetate

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

8004-0248

Molecular Formula

C18H17ClN2O3S (C18 H17 ClN2 O3 S)

Compound Name

4-[(E)-[(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl acetate

IUPAC name

4-[(E)-[(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl acetate

SMILES

CC(Oc1ccc(/C=N/NC(CSCc(cc2)ccc2Cl)=O)cc1)=O

InChI

InChI=1S/C18H17ClN2O3S/c1-13(22)24-17-8-4-14(5-9-17)10-20-21-18(23)12-25-11-15-2-6-16(19)7-3-15/h2-10H,11-12H2,1H3,(H,21,23)

InChI Key

VEAGRXRAXNUODK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00494478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.517

Water Solubility, LogSw

-4.44

Polar Surface Area

56.092

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8004-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0248?
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What is the minimum amount of 8004-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0248
  • 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 8004-0248 available by request