D411-0594 Screening compound: N-{3-[(4-chlorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide

D411-0594 Screening compound: N-{3-[(4-chlorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide
D411-0594 Screening compound: N-{3-[(4-chlorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0594
N-{3-[(4-chlorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide

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

D411-0594

Molecular Formula

C23H26ClN3OS2 (C23 H26 ClN3 OS2)

Compound Name

N-{3-[(4-chlorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide

IUPAC name

N-{3-[(4-chlorophenyl)(4-methylpiperazin-1-yl)methyl]-45-dimethylthiophen-2-yl}thiophene-2-carboxamide

SMILES

Cc1c(C)sc(NC(c2cccs2)=O)c1C(c(cc1)ccc1Cl)N1CCN(C)CC1

InChI

InChI=1S/C23H26ClN3OS2/c1-15-16(2)30-23(25-22(28)19-5-4-14-29-19)20(15)21(17-6-8-18(24)9-7-17)27-12-10-26(3)11-13-27/h4-9,14,21H,10-13H2,1-3H3,(H,25,28)/t21-/m1/s1

InChI Key

FKSRFDXULJHPJK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09540526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-6.11

Polar Surface Area

30.372

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with D411-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0594?
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What is the minimum amount of D411-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0594
  • 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 D411-0594 available by request