4678-0521 Screening compound: ethyl 4-(4-methylphenyl)-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}thiophene-3-carboxylate

4678-0521 Screening compound: ethyl 4-(4-methylphenyl)-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}thiophene-3-carboxylate
4678-0521 Screening compound: ethyl 4-(4-methylphenyl)-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0521
ethyl 4-(4-methylphenyl)-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}thiophene-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

4678-0521

Molecular Formula

C27H24N2O4S2 (C27 H24 N2 O4 S2)

Compound Name

ethyl 4-(4-methylphenyl)-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}thiophene-3-carboxylate

IUPAC name

ethyl 4-(4-methylphenyl)-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(c2cccs2)=O)NC(c2ccccc2)=O)scc1-c1ccc(C)cc1)=O

InChI

InChI=1S/C27H24N2O4S2/c1-3-33-27(32)22-20(18-13-11-17(2)12-14-18)16-35-26(22)29-24(23(30)21-10-7-15-34-21)28-25(31)19-8-5-4-6-9-19/h4-16,24,29H,3H2,1-2H3,(H,28,31)/t24-/m0/s1

InChI Key

HDRVLPGITZFJMO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06642835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.610

Water Solubility, LogSw

-5.58

Polar Surface Area

68.212

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-9.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

4678-0521 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4678-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0521?
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What is the minimum amount of 4678-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0521
  • 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 4678-0521 available by request