D396-0140 Screening compound: 2-(3-nitrobenzoyl)-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine

D396-0140 Screening compound: 2-(3-nitrobenzoyl)-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine
D396-0140 Screening compound: 2-(3-nitrobenzoyl)-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0140
2-(3-nitrobenzoyl)-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine

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

D396-0140

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

2-(3-nitrobenzoyl)-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine

IUPAC name

2-(3-nitrobenzoyl)-5-(pyrrolidin-1-yl)-6H7H8H9H-thieno[23-c]isoquinolin-1-amine

SMILES

Nc1c(C(c2cc([N+]([O-])=O)ccc2)=O)sc2nc(N3CCCC3)c(CCCC3)c3c12

InChI

InChI=1S/C22H22N4O3S/c23-18-17-15-8-1-2-9-16(15)21(25-10-3-4-11-25)24-22(17)30-20(18)19(27)13-6-5-7-14(12-13)26(28)29/h5-7,12H,1-4,8-11,23H2

InChI Key

MHYNZGMBVHWEQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-6.08

Polar Surface Area

79.866

Acid Dissociation Constant (pKa)

17.85

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D396-0140 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D396-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0140?
Check Price and Availability of D396-0140, 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 D396-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0140
  • 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 D396-0140 available by request