D245-0194 Screening compound: 2-(4-tert-butylphenyl)-5-methyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D245-0194 Screening compound: 2-(4-tert-butylphenyl)-5-methyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D245-0194 Screening compound: 2-(4-tert-butylphenyl)-5-methyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0194
2-(4-tert-butylphenyl)-5-methyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

D245-0194

Molecular Formula

C22H31N5 (C22 H31 N5)

Compound Name

2-(4-tert-butylphenyl)-5-methyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

2-(4-tert-butylphenyl)-5-methyl-NN-dipropyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCCN(CCC)c1cc(C)nc2nc(-c3ccc(C(C)(C)C)cc3)nn12

InChI

InChI=1S/C22H31N5/c1-7-13-26(14-8-2)19-15-16(3)23-21-24-20(25-27(19)21)17-9-11-18(12-10-17)22(4,5)6/h9-12,15H,7-8,13-14H2,1-6H3

InChI Key

XMAVKKQGZHNVPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.380

Distribution Coefficient, logD

6.157

Water Solubility, LogSw

-5.74

Polar Surface Area

32.908

Acid Dissociation Constant (pKa)

25.40

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D245-0194 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D245-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0194?
Check Price and Availability of D245-0194, 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 D245-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0194
  • 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 D245-0194 available by request