6732-0188 Screening compound: N-[(4-fluorophenyl)methyl]-7-hydroxy-3-[(oxolan-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

6732-0188 Screening compound: N-[(4-fluorophenyl)methyl]-7-hydroxy-3-[(oxolan-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
6732-0188 Screening compound: N-[(4-fluorophenyl)methyl]-7-hydroxy-3-[(oxolan-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0188
N-[(4-fluorophenyl)methyl]-7-hydroxy-3-[(oxolan-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

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

6732-0188

Molecular Formula

C17H17FN6O3 (C17 H17 FN6 O3)

Compound Name

N-[(4-fluorophenyl)methyl]-7-hydroxy-3-[(oxolan-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-7-hydroxy-3-[(oxolan-2-yl)methyl]-3H-[123]triazolo[45-d]pyrimidine-5-carboxamide

SMILES

Oc1c2nnn(CC3OCCC3)c2nc(C(NCc(cc2)ccc2F)=O)n1

InChI

InChI=1S/C17H17FN6O3/c18-11-5-3-10(4-6-11)8-19-17(26)14-20-15-13(16(25)21-14)22-23-24(15)9-12-2-1-7-27-12/h3-6,12H,1-2,7-9H2,(H,19,26)(H,20,21,25)/t12-/m1/s1

InChI Key

WMTBHVKSAIIBNR-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14711968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.459

Distribution Coefficient, logD

-1.260

Water Solubility, LogSw

-1.74

Polar Surface Area

95.893

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

6732-0188 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6732-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0188?
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What is the minimum amount of 6732-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0188
  • 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 6732-0188 available by request