D043-0109 Screening compound: 6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D043-0109 Screening compound: 6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D043-0109 Screening compound: 6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0109
6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

D043-0109

Molecular Formula

C20H18ClN5O (C20 H18 ClN5 O)

Compound Name

6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(Nc1nc(NCc2cccc(Cl)c2)nn11)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C20H18ClN5O/c1-13-17(11-14-6-3-2-4-7-14)18(27)26-20(23-13)24-19(25-26)22-12-15-8-5-9-16(21)10-15/h2-10H,11-12H2,1H3,(H2,22,23,24,25)

InChI Key

ZJYSQSOCUATSOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06606374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.27

Polar Surface Area

61.620

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D043-0109 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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 D043-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0109?
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What is the minimum amount of D043-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0109
  • 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 D043-0109 available by request