D411-1462 Screening compound: N-{3-[(4-chlorophenyl)(pyrrolidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide

D411-1462 Screening compound: N-{3-[(4-chlorophenyl)(pyrrolidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide
D411-1462 Screening compound: N-{3-[(4-chlorophenyl)(pyrrolidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-1462
N-{3-[(4-chlorophenyl)(pyrrolidin-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

D411-1462

Molecular Formula

C22H23ClN2OS2 (C22 H23 ClN2 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)sc(NC(c2cccs2)=O)c1C(c(cc1)ccc1Cl)N1CCCC1

InChI

InChI=1S/C22H23ClN2OS2/c1-14-15(2)28-22(24-21(26)18-6-5-13-27-18)19(14)20(25-11-3-4-12-25)16-7-9-17(23)10-8-16/h5-10,13,20H,3-4,11-12H2,1-2H3,(H,24,26)/t20-/m1/s1

InChI Key

ZLKAVYXUAKVOKB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09540580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.02

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.947

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-6.30

Polar Surface Area

27.262

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with D411-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-1462?
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What is the minimum amount of D411-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-1462
  • 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 D411-1462 available by request