V015-4813 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V015-4813 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V015-4813 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-4813
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V015-4813

Molecular Formula

C29H30N4O4S (C29 H30 N4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

CC(COC)n1c(SCc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C29H30N4O4S/c1-20(17-35-2)33-27(15-21-6-4-3-5-7-21)31-32-29(33)38-18-22-8-11-24(12-9-22)28(34)30-16-23-10-13-25-26(14-23)37-19-36-25/h3-14,20H,15-19H2,1-2H3,(H,30,34)/t20-/m0/s1

InChI Key

RVHYKWNNBCSSFC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27628012

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.17

Polar Surface Area

75.830

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V015-4813 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V015-4813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-4813?
Check Price and Availability of V015-4813, 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 V015-4813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-4813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-4813
  • 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 V015-4813 available by request