D331-0460 Screening compound: 1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]pentan-1-one

D331-0460 Screening compound: 1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]pentan-1-one
D331-0460 Screening compound: 1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]pentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0460
1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]pentan-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

D331-0460

Molecular Formula

C21H26N4O2 (C21 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-4-5-8-19(26)25-21(23-20(24-25)18-7-6-13-27-18)22-14-16-9-11-17(12-10-16)15(2)3/h6-7,9-13,15H,4-5,8,14H2,1-3H3,(H,22,23,24)

InChI Key

DTCIWUHEOOLLAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.27

Polar Surface Area

57.550

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D331-0460 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 D331-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0460?
Check Price and Availability of D331-0460, 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 D331-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0460
  • 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 D331-0460 available by request