D489-0140 Screening compound: 5-{[(2-chlorophenyl)amino]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D489-0140 Screening compound: 5-{[(2-chlorophenyl)amino]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D489-0140 Screening compound: 5-{[(2-chlorophenyl)amino]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D489-0140
5-{[(2-chlorophenyl)amino]methyl}-2-(thiophen-2-yl)-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

D489-0140

Molecular Formula

C16H12ClN5OS (C16 H12 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C1n2nc(-c3cccs3)nc2NC(CNc(cccc2)c2Cl)=C1

InChI

InChI=1S/C16H12ClN5OS/c17-11-4-1-2-5-12(11)18-9-10-8-14(23)22-16(19-10)20-15(21-22)13-6-3-7-24-13/h1-8,18H,9H2,(H,19,20,21)

InChI Key

YTAIEEIYCUMEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-3.59

Polar Surface Area

61.896

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D489-0140 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D489-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-0140?
Check Price and Availability of D489-0140, 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 D489-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-0140
  • 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 D489-0140 available by request