D331-0003 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one

D331-0003 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one
D331-0003 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0003
1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-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

D331-0003

Molecular Formula

C18H20N4O2 (C18 H20 N4 O2)

Compound Name

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

IUPAC name

1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-124-triazol-1-yl]butan-1-one

SMILES

CCCC(n1nc(-c2ccco2)nc1NCc1ccc(C)cc1)=O

InChI

InChI=1S/C18H20N4O2/c1-3-5-16(23)22-18(19-12-14-9-7-13(2)8-10-14)20-17(21-22)15-6-4-11-24-15/h4,6-11H,3,5,12H2,1-2H3,(H,19,20,21)

InChI Key

CRVLMQYTRBQWEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

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

3.500

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-3.47

Polar Surface Area

57.550

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D331-0003 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 D331-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0003?
Check Price and Availability of D331-0003, 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 D331-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0003
  • 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 D331-0003 available by request