D043-0262 Screening compound: 6-chloro-N-[(4-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

D043-0262 Screening compound: 6-chloro-N-[(4-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
D043-0262 Screening compound: 6-chloro-N-[(4-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0262
6-chloro-N-[(4-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-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

D043-0262

Molecular Formula

C15H16ClN5O (C15 H16 ClN5 O)

Compound Name

6-chloro-N-[(4-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

IUPAC name

6-chloro-N-[(4-methoxyphenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-amine

SMILES

Cc(n1nc(NCc(cc2)ccc2OC)nc1nc1C)c1Cl

InChI

InChI=1S/C15H16ClN5O/c1-9-13(16)10(2)21-15(18-9)19-14(20-21)17-8-11-4-6-12(22-3)7-5-11/h4-7H,8H2,1-3H3,(H,17,20)

InChI Key

XTYDBINEOUEDOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-3.76

Polar Surface Area

50.288

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D043-0262 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D043-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0262?
Check Price and Availability of D043-0262, 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 D043-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0262
  • 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 D043-0262 available by request