D043-0110 Screening compound: 6-benzyl-2-{[(4-chlorophenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D043-0110 Screening compound: 6-benzyl-2-{[(4-chlorophenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D043-0110 Screening compound: 6-benzyl-2-{[(4-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 D043-0110
6-benzyl-2-{[(4-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

D043-0110

Molecular Formula

C20H18ClN5O (C20 H18 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(NCc(cc2)ccc2Cl)nn11)=C(Cc2ccccc2)C1=O

InChI

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

InChI Key

PUPVNKBNWWGHOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06614073

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

3.886

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-4.34

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

D043-0110 in Drug Discovery

Included in Screening Libraries

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 D043-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0110?
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What is the minimum amount of D043-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0110
  • 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 D043-0110 available by request