D245-0209 Screening compound: 1-[2-(4-tert-butylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2-methoxyphenyl)piperazine

D245-0209 Screening compound: 1-[2-(4-tert-butylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2-methoxyphenyl)piperazine
D245-0209 Screening compound: 1-[2-(4-tert-butylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0209
1-[2-(4-tert-butylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2-methoxyphenyl)piperazine

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

D245-0209

Molecular Formula

C27H32N6O (C27 H32 N6 O)

Compound Name

1-[2-(4-tert-butylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2-methoxyphenyl)piperazine

IUPAC name

1-[2-(4-tert-butylphenyl)-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl]-4-(2-methoxyphenyl)piperazine

SMILES

CC(C)(C)c(cc1)ccc1-c1nn2c(N(CC3)CCN3c(cccc3)c3OC)cc(C)nc2n1

InChI

InChI=1S/C27H32N6O/c1-19-18-24(32-16-14-31(15-17-32)22-8-6-7-9-23(22)34-5)33-26(28-19)29-25(30-33)20-10-12-21(13-11-20)27(2,3)4/h6-13,18H,14-17H2,1-5H3

InChI Key

MLEFVJUKTZGTBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.238

Distribution Coefficient, logD

6.014

Water Solubility, LogSw

-5.64

Polar Surface Area

43.707

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

D245-0209 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 D245-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0209?
Check Price and Availability of D245-0209, 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 D245-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0209
  • 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 D245-0209 available by request