D116-0170 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one

D116-0170 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one
D116-0170 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0170
1-(5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-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

D116-0170

Molecular Formula

C18H19ClN4O2 (C18 H19 ClN4 O2)

Compound Name

1-(5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one

IUPAC name

1-(5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-124-triazol-1-yl)-3-methylbutan-1-one

SMILES

CC(C)CC(n1nc(-c2ccco2)nc1NCc(cccc1)c1Cl)=O

InChI

InChI=1S/C18H19ClN4O2/c1-12(2)10-16(24)23-18(20-11-13-6-3-4-7-14(13)19)21-17(22-23)15-8-5-9-25-15/h3-9,12H,10-11H2,1-2H3,(H,20,21,22)

InChI Key

LXZUABBTEQOQPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.20

Polar Surface Area

57.550

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D116-0170 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D116-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0170?
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What is the minimum amount of D116-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0170
  • 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 D116-0170 available by request