V017-4107 Screening compound: 1-[5-(furan-2-yl)-1-(3-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-N,N-dimethylpiperidin-4-amine

V017-4107 Screening compound: 1-[5-(furan-2-yl)-1-(3-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-N,N-dimethylpiperidin-4-amine
V017-4107 Screening compound: 1-[5-(furan-2-yl)-1-(3-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-N,N-dimethylpiperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4107
1-[5-(furan-2-yl)-1-(3-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-N,N-dimethylpiperidin-4-amine

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

V017-4107

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

1-[5-(furan-2-yl)-1-(3-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-N,N-dimethylpiperidin-4-amine

IUPAC name

1-[5-(furan-2-yl)-1-(3-methylphenyl)-1H-124-triazole-3-carbonyl]-NN-dimethylpiperidin-4-amine

SMILES

Cc1cccc(-n2nc(C(N(CC3)CCC3N(C)C)=O)nc2-c2ccco2)c1

InChI

InChI=1S/C21H25N5O2/c1-15-6-4-7-17(14-15)26-20(18-8-5-13-28-18)22-19(23-26)21(27)25-11-9-16(10-12-25)24(2)3/h4-8,13-14,16H,9-12H2,1-3H3

InChI Key

HBRGFMRENAGXBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287512

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

-0.140

Water Solubility, LogSw

-2.95

Polar Surface Area

51.562

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V017-4107 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V017-4107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4107?
Check Price and Availability of V017-4107, 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 V017-4107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4107
  • 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 V017-4107 available by request