D043-0189 Screening compound: 5-propyl-2-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D043-0189 Screening compound: 5-propyl-2-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D043-0189 Screening compound: 5-propyl-2-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0189
5-propyl-2-(3,4,5-trimethoxyphenyl)-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

D043-0189

Molecular Formula

C17H20N4O4 (C17 H20 N4 O4)

Compound Name

5-propyl-2-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-propyl-2-(345-trimethoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CCCC(Nc1nc(-c(cc2OC)cc(OC)c2OC)nn11)=CC1=O

InChI

InChI=1S/C17H20N4O4/c1-5-6-11-9-14(22)21-17(18-11)19-16(20-21)10-7-12(23-2)15(25-4)13(8-10)24-3/h7-9H,5-6H2,1-4H3,(H,18,19,20)

InChI Key

RMLQYMDBIAHOEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06002782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-2.90

Polar Surface Area

74.318

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D043-0189 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D043-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0189?
Check Price and Availability of D043-0189, 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 D043-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0189
  • 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 D043-0189 available by request