D489-0147 Screening compound: 5-{[(4-bromophenyl)amino]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D489-0147 Screening compound: 5-{[(4-bromophenyl)amino]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D489-0147 Screening compound: 5-{[(4-bromophenyl)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 D489-0147
5-{[(4-bromophenyl)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

D489-0147

Molecular Formula

C16H12BrN5OS (C16 H12 BrN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C1n2nc(-c3cccs3)nc2NC(CNc(cc2)ccc2Br)=C1

InChI

InChI=1S/C16H12BrN5OS/c17-10-3-5-11(6-4-10)18-9-12-8-14(23)22-16(19-12)20-15(21-22)13-2-1-7-24-13/h1-8,18H,9H2,(H,19,20,21)

InChI Key

AULRVSQZRHOXTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.27

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

3.824

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-4.17

Polar Surface Area

62.593

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D489-0147 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D489-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-0147?
Check Price and Availability of D489-0147, 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 D489-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-0147
  • 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 D489-0147 available by request