D043-0265 Screening compound: 6-chloro-N-[(4-ethylphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

D043-0265 Screening compound: 6-chloro-N-[(4-ethylphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
D043-0265 Screening compound: 6-chloro-N-[(4-ethylphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0265
6-chloro-N-[(4-ethylphenyl)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

D043-0265

Molecular Formula

C16H18ClN5 (C16 H18 ClN5)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNc(nc2nc3C)nn2c(C)c3Cl)cc1

InChI

InChI=1S/C16H18ClN5/c1-4-12-5-7-13(8-6-12)9-18-15-20-16-19-10(2)14(17)11(3)22(16)21-15/h5-8H,4,9H2,1-3H3,(H,18,21)

InChI Key

VNIUGZXHVRNGAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07392265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-4.13

Polar Surface Area

42.745

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D043-0265 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D043-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0265?
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What is the minimum amount of D043-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0265
  • 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 D043-0265 available by request