D489-0135 Screening compound: 2-(thiophen-2-yl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D489-0135 Screening compound: 2-(thiophen-2-yl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D489-0135 Screening compound: 2-(thiophen-2-yl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D489-0135
2-(thiophen-2-yl)-5-({[3-(trifluoromethyl)phenyl]amino}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

D489-0135

Molecular Formula

C17H12F3N5OS (C17 H12 F3 N5 OS)

Compound Name

2-(thiophen-2-yl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-(thiophen-2-yl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

O=C1n2nc(-c3cccs3)nc2NC(CNc2cc(C(F)(F)F)ccc2)=C1

InChI

InChI=1S/C17H12F3N5OS/c18-17(19,20)10-3-1-4-11(7-10)21-9-12-8-14(26)25-16(22-12)23-15(24-25)13-5-2-6-27-13/h1-8,21H,9H2,(H,22,23,24)

InChI Key

PMJFPRFUEJJFNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.38

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

3.906

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-4.21

Polar Surface Area

62.593

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D489-0135 in Drug Discovery

Included in Screening Libraries

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

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 D489-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-0135?
Check Price and Availability of D489-0135, 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 D489-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-0135
  • 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 D489-0135 available by request