T491-0965 Screening compound: 2-METHYL-4-PIPERIDINO-N-[2-(2-THIENYL)ETHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE

T491-0965 Screening compound: 2-METHYL-4-PIPERIDINO-N-[2-(2-THIENYL)ETHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE
T491-0965 Screening compound: 2-METHYL-4-PIPERIDINO-N-[2-(2-THIENYL)ETHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T491-0965
2-METHYL-4-PIPERIDINO-N-[2-(2-THIENYL)ETHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-6-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

T491-0965

Molecular Formula

C18H22N6OS (C18 H22 N6 OS)

Compound Name

2-METHYL-4-PIPERIDINO-N-[2-(2-THIENYL)ETHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cn(cc12)nc2nc(C(NCCc2cccs2)=O)nc1N1CCCCC1

InChI

InChI=1S/C18H22N6OS/c1-23-12-14-15(22-23)20-16(21-17(14)24-9-3-2-4-10-24)18(25)19-8-7-13-6-5-11-26-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,19,25)

InChI Key

JGLXYTKMVVBHMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.610

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-2.86

Polar Surface Area

63.095

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

T491-0965 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T491-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T491-0965?
Check Price and Availability of T491-0965, 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 T491-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T491-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T491-0965
  • 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 T491-0965 available by request