D396-0132 Screening compound: ethyl 4-[1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-amido]benzoate

D396-0132 Screening compound: ethyl 4-[1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-amido]benzoate
D396-0132 Screening compound: ethyl 4-[1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0132
ethyl 4-[1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-amido]benzoate

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

D396-0132

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

ethyl 4-[1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-amido]benzoate

IUPAC name

ethyl 4-[1-amino-5-(pyrrolidin-1-yl)-6H7H8H9H-thieno[23-c]isoquinoline-2-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(sc1nc(N2CCCC2)c(CCCC2)c2c11)c1N)=O)=O

InChI

InChI=1S/C25H28N4O3S/c1-2-32-25(31)15-9-11-16(12-10-15)27-23(30)21-20(26)19-17-7-3-4-8-18(17)22(28-24(19)33-21)29-13-5-6-14-29/h9-12H,2-8,13-14,26H2,1H3,(H,27,30)

InChI Key

IPBUSZSCBVOEBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27583259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.888

Distribution Coefficient, logD

5.888

Water Solubility, LogSw

-5.65

Polar Surface Area

76.862

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D396-0132 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D396-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0132?
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What is the minimum amount of D396-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0132
  • 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 D396-0132 available by request