V025-5266 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V025-5266 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V025-5266 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5266
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-methoxyphenyl)-5-(pyridin-4-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

V025-5266

Molecular Formula

C30H25N5O4S (C30 H25 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1c(SCc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)nnc1-c1ccncc1

InChI

InChI=1S/C30H25N5O4S/c1-37-25-9-7-24(8-10-25)35-28(22-12-14-31-15-13-22)33-34-30(35)40-18-20-2-5-23(6-3-20)29(36)32-17-21-4-11-26-27(16-21)39-19-38-26/h2-16H,17-19H2,1H3,(H,32,36)

InChI Key

OXNHLMPWBOAFJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792315

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

551.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.23

Polar Surface Area

83.213

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

V025-5266 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 V025-5266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5266?
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What is the minimum amount of V025-5266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5266
  • 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 V025-5266 available by request