5991-0426 Screening compound: ethyl 5-(cyclohexylcarbamoyl)-2-[4-(2,4-dichlorophenoxy)butanamido]-4-methylthiophene-3-carboxylate

5991-0426 Screening compound: ethyl 5-(cyclohexylcarbamoyl)-2-[4-(2,4-dichlorophenoxy)butanamido]-4-methylthiophene-3-carboxylate
5991-0426 Screening compound: ethyl 5-(cyclohexylcarbamoyl)-2-[4-(2,4-dichlorophenoxy)butanamido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0426
ethyl 5-(cyclohexylcarbamoyl)-2-[4-(2,4-dichlorophenoxy)butanamido]-4-methylthiophene-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

5991-0426

Molecular Formula

C25H30Cl2N2O5S (C25 H30 Cl2 N2 O5 S)

Compound Name

ethyl 5-(cyclohexylcarbamoyl)-2-[4-(2,4-dichlorophenoxy)butanamido]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-(cyclohexylcarbamoyl)-2-[4-(24-dichlorophenoxy)butanamido]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCCOc(ccc(Cl)c2)c2Cl)=O)sc(C(NC2CCCCC2)=O)c1C)=O

InChI

InChI=1S/C25H30Cl2N2O5S/c1-3-33-25(32)21-15(2)22(23(31)28-17-8-5-4-6-9-17)35-24(21)29-20(30)10-7-13-34-19-12-11-16(26)14-18(19)27/h11-12,14,17H,3-10,13H2,1-2H3,(H,28,31)(H,29,30)

InChI Key

GMZNLKYMDOTNIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03312420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-6.11

Polar Surface Area

75.307

Acid Dissociation Constant (pKa)

4.95

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with 5991-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5991-0426?
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What is the minimum amount of 5991-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0426
  • 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 5991-0426 available by request