D043-0177 Screening compound: 2-{[(4-bromophenyl)methyl]amino}-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D043-0177 Screening compound: 2-{[(4-bromophenyl)methyl]amino}-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D043-0177 Screening compound: 2-{[(4-bromophenyl)methyl]amino}-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0177
2-{[(4-bromophenyl)methyl]amino}-5-propyl-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

D043-0177

Molecular Formula

C15H16BrN5O (C15 H16 BrN5 O)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc1nc(NCc(cc2)ccc2Br)nn11)=CC1=O

InChI

InChI=1S/C15H16BrN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H2,17,18,19,20)

InChI Key

XWQCDOISHBZRCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.23

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

3.238

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-3.39

Polar Surface Area

62.981

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D043-0177 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 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 D043-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0177?
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What is the minimum amount of D043-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0177
  • 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 D043-0177 available by request