T491-0108 Screening compound: 2-methyl-4-(pyrrolidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2H-pyrazolo[3,4-d]pyrimidine-6-carboxamide

T491-0108 Screening compound: 2-methyl-4-(pyrrolidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
T491-0108 Screening compound: 2-methyl-4-(pyrrolidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2H-pyrazolo[3,4-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T491-0108
2-methyl-4-(pyrrolidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}-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

T491-0108

Molecular Formula

C19H19F3N6O (C19 H19 F3 N6 O)

Compound Name

2-methyl-4-(pyrrolidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2H-pyrazolo[3,4-d]pyrimidine-6-carboxamide

IUPAC name

2-methyl-4-(pyrrolidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2H-pyrazolo[34-d]pyrimidine-6-carboxamide

SMILES

Cn(cc12)nc2nc(C(NCc2ccc(C(F)(F)F)cc2)=O)nc1N1CCCC1

InChI

InChI=1S/C19H19F3N6O/c1-27-11-14-15(26-27)24-16(25-17(14)28-8-2-3-9-28)18(29)23-10-12-4-6-13(7-5-12)19(20,21)22/h4-7,11H,2-3,8-10H2,1H3,(H,23,29)

InChI Key

VLMIPZGPSJLJAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

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

3.174

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.21

Polar Surface Area

62.601

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

T491-0108 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 T491-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T491-0108?
Check Price and Availability of T491-0108, 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 T491-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T491-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T491-0108
  • 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 T491-0108 available by request