V017-5052 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}decanamide

V017-5052 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}decanamide
V017-5052 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}decanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5052
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}decanamide

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

V017-5052

Molecular Formula

C29H38N4O4 (C29 H38 N4 O4)

Compound Name

N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}decanamide

IUPAC name

N-{4-[5-(2H-13-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-124-triazol-1-yl]phenyl}decanamide

SMILES

CCCCCCCCCC(Nc(cc1)ccc1-n(c(-c(cc1)cc2c1OCO2)n1)nc1OCC(C)C)=O

InChI

InChI=1S/C29H38N4O4/c1-4-5-6-7-8-9-10-11-27(34)30-23-13-15-24(16-14-23)33-28(31-29(32-33)35-19-21(2)3)22-12-17-25-26(18-22)37-20-36-25/h12-18,21H,4-11,19-20H2,1-3H3,(H,30,34)

InChI Key

XPBIXLKPYJVAOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14245482

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.176

Distribution Coefficient, logD

8.176

Water Solubility, LogSw

-5.65

Polar Surface Area

71.454

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.30

V017-5052 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V017-5052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5052?
Check Price and Availability of V017-5052, 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 V017-5052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5052
  • 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 V017-5052 available by request