3272-1092 Screening compound: ethyl 4-{5-[(E)-({3-[(4-chlorophenyl)sulfanyl]propanamido}imino)methyl]furan-2-yl}benzoate

3272-1092 Screening compound: ethyl 4-{5-[(E)-({3-[(4-chlorophenyl)sulfanyl]propanamido}imino)methyl]furan-2-yl}benzoate
3272-1092 Screening compound: ethyl 4-{5-[(E)-({3-[(4-chlorophenyl)sulfanyl]propanamido}imino)methyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-1092
ethyl 4-{5-[(E)-({3-[(4-chlorophenyl)sulfanyl]propanamido}imino)methyl]furan-2-yl}benzoate

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

3272-1092

Molecular Formula

C23H21ClN2O4S (C23 H21 ClN2 O4 S)

Compound Name

ethyl 4-{5-[(E)-({3-[(4-chlorophenyl)sulfanyl]propanamido}imino)methyl]furan-2-yl}benzoate

IUPAC name

ethyl 4-{5-[(E)-({3-[(4-chlorophenyl)sulfanyl]propanamido}imino)methyl]furan-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=N/NC(CCSc(cc2)ccc2Cl)=O)o1)=O

InChI

InChI=1S/C23H21ClN2O4S/c1-2-29-23(28)17-5-3-16(4-6-17)21-12-9-19(30-21)15-25-26-22(27)13-14-31-20-10-7-18(24)8-11-20/h3-12,15H,2,13-14H2,1H3,(H,26,27)

InChI Key

TWBXNZRVSACEOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.393

Distribution Coefficient, logD

6.393

Water Solubility, LogSw

-6.35

Polar Surface Area

63.664

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

3272-1092 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3272-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-1092?
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What is the minimum amount of 3272-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-1092
  • 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 3272-1092 available by request