4678-0582 Screening compound: ethyl 4-(4-methylphenyl)-2-{[2-(4-methylphenyl)-2-oxo-1-[(thiophen-2-yl)formamido]ethyl]amino}thiophene-3-carboxylate

4678-0582 Screening compound: ethyl 4-(4-methylphenyl)-2-{[2-(4-methylphenyl)-2-oxo-1-[(thiophen-2-yl)formamido]ethyl]amino}thiophene-3-carboxylate
4678-0582 Screening compound: ethyl 4-(4-methylphenyl)-2-{[2-(4-methylphenyl)-2-oxo-1-[(thiophen-2-yl)formamido]ethyl]amino}thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0582
ethyl 4-(4-methylphenyl)-2-{[2-(4-methylphenyl)-2-oxo-1-[(thiophen-2-yl)formamido]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

4678-0582

Molecular Formula

C28H26N2O4S2 (C28 H26 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(C(c2ccc(C)cc2)=O)NC(c2cccs2)=O)scc1-c1ccc(C)cc1)=O

InChI

InChI=1S/C28H26N2O4S2/c1-4-34-28(33)23-21(19-11-7-17(2)8-12-19)16-36-27(23)30-25(29-26(32)22-6-5-15-35-22)24(31)20-13-9-18(3)10-14-20/h5-16,25,30H,4H2,1-3H3,(H,29,32)/t25-/m0/s1

InChI Key

HYTHMSVGUUYCSX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06642831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

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

6.148

Distribution Coefficient, logD

6.148

Water Solubility, LogSw

-5.55

Polar Surface Area

68.212

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-7.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 4678-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0582?
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What is the minimum amount of 4678-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0582
  • 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 4678-0582 available by request