D396-0116 Screening compound: ethyl 1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxylate

D396-0116 Screening compound: ethyl 1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxylate
D396-0116 Screening compound: ethyl 1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0116
ethyl 1-amino-5-(pyrrolidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinoline-2-carboxylate

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

D396-0116

Molecular Formula

C18H23N3O2S (C18 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-2-23-18(22)15-14(19)13-11-7-3-4-8-12(11)16(20-17(13)24-15)21-9-5-6-10-21/h2-10,19H2,1H3

InChI Key

MJWPGMFTUWUWFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

4.643

Water Solubility, LogSw

-4.63

Polar Surface Area

53.771

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

D396-0116 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D396-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0116?
Check Price and Availability of D396-0116, 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 D396-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0116
  • 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 D396-0116 available by request