4358-3197 Screening compound: ethyl 2-[4-(4-chlorophenoxy)butanamido]-5-phenylthiophene-3-carboxylate

4358-3197 Screening compound: ethyl 2-[4-(4-chlorophenoxy)butanamido]-5-phenylthiophene-3-carboxylate
4358-3197 Screening compound: ethyl 2-[4-(4-chlorophenoxy)butanamido]-5-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3197
ethyl 2-[4-(4-chlorophenoxy)butanamido]-5-phenylthiophene-3-carboxylate

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

4358-3197

Molecular Formula

C23H22ClNO4S (C23 H22 ClNO4 S)

Compound Name

ethyl 2-[4-(4-chlorophenoxy)butanamido]-5-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[4-(4-chlorophenoxy)butanamido]-5-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCCOc(cc2)ccc2Cl)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C23H22ClNO4S/c1-2-28-23(27)19-15-20(16-7-4-3-5-8-16)30-22(19)25-21(26)9-6-14-29-18-12-10-17(24)11-13-18/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,25,26)

InChI Key

LRJNCFQLDYBMIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.875

Distribution Coefficient, logD

5.853

Water Solubility, LogSw

-5.86

Polar Surface Area

50.810

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4358-3197 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4358-3197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3197?
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What is the minimum amount of 4358-3197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3197
  • 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 4358-3197 available by request