D112-0019 Screening compound: N-(4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide

D112-0019 Screening compound: N-(4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide
D112-0019 Screening compound: N-(4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0019
N-(4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide

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

D112-0019

Molecular Formula

C20H16F2N6O2S (C20 H16 F2 N6 O2 S)

Compound Name

N-(4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide

IUPAC name

N-(4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[123]triazolo[45-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide

SMILES

Oc1c2nnn(CSCC(Nc(cc3)ccc3F)=O)c2nc(Cc(cc2)ccc2F)n1

InChI

InChI=1S/C20H16F2N6O2S/c21-13-3-1-12(2-4-13)9-16-24-19-18(20(30)25-16)26-27-28(19)11-31-10-17(29)23-15-7-5-14(22)6-8-15/h1-8H,9-11H2,(H,23,29)(H,24,25,30)

InChI Key

KMFSJKVQYWBAJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

1.509

Water Solubility, LogSw

-3.39

Polar Surface Area

84.822

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D112-0019 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D112-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0019?
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What is the minimum amount of D112-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0019
  • 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 D112-0019 available by request