D245-0578 Screening compound: N-butyl-2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D245-0578 Screening compound: N-butyl-2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D245-0578 Screening compound: N-butyl-2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0578
N-butyl-2-[(4-chlorophenyl)methyl]-5-methyl-[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

D245-0578

Molecular Formula

C17H20ClN5 (C17 H20 ClN5)

Compound Name

N-butyl-2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-butyl-2-[(4-chlorophenyl)methyl]-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCCCNc1cc(C)nc2nc(Cc(cc3)ccc3Cl)nn12

InChI

InChI=1S/C17H20ClN5/c1-3-4-9-19-16-10-12(2)20-17-21-15(22-23(16)17)11-13-5-7-14(18)8-6-13/h5-8,10,19H,3-4,9,11H2,1-2H3

InChI Key

JWADAHJRPOOJKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.34

Polar Surface Area

42.266

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D245-0578 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D245-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0578?
Check Price and Availability of D245-0578, 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 D245-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0578
  • 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 D245-0578 available by request