D396-0122 Screening compound: 1-amino-N-phenyl-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxamide

D396-0122 Screening compound: 1-amino-N-phenyl-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxamide
D396-0122 Screening compound: 1-amino-N-phenyl-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0122
1-amino-N-phenyl-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-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

D396-0122

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

1-amino-N-phenyl-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxamide

IUPAC name

1-amino-N-phenyl-5-(pyrrolidin-1-yl)-6H7H8H9H-thieno[23-c]isoquinoline-2-carboxamide

SMILES

Nc1c(C(Nc2ccccc2)=O)sc2nc(N3CCCC3)c(CCCC3)c3c12

InChI

InChI=1S/C22H24N4OS/c23-18-17-15-10-4-5-11-16(15)20(26-12-6-7-13-26)25-22(17)28-19(18)21(27)24-14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13,23H2,(H,24,27)

InChI Key

VSDQQKAJEVOECN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.095

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-5.26

Polar Surface Area

56.108

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D396-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0122?
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What is the minimum amount of D396-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0122
  • 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 D396-0122 available by request