D396-0135 Screening compound: 1-amino-N-[(furan-2-yl)methyl]-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxamide

D396-0135 Screening compound: 1-amino-N-[(furan-2-yl)methyl]-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxamide
D396-0135 Screening compound: 1-amino-N-[(furan-2-yl)methyl]-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0135
1-amino-N-[(furan-2-yl)methyl]-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

D396-0135

Molecular Formula

C21H24N4O2S (C21 H24 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(C(NCc2ccco2)=O)sc2nc(N3CCCC3)c(CCCC3)c3c12

InChI

InChI=1S/C21H24N4O2S/c22-17-16-14-7-1-2-8-15(14)19(25-9-3-4-10-25)24-21(16)28-18(17)20(26)23-12-13-6-5-11-27-13/h5-6,11H,1-4,7-10,12,22H2,(H,23,26)

InChI Key

QFWDCGCDQJBPIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-5.07

Polar Surface Area

65.179

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D396-0135 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D396-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0135?
Check Price and Availability of D396-0135, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D396-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0135
  • 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 D396-0135 available by request