V028-0976 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V028-0976 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V028-0976 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0976
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-benzyl-5-(methoxymethyl)-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

V028-0976

Molecular Formula

C27H26N4O4S (C27 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCc(n1Cc2ccccc2)nnc1SCc(cccc1)c1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H26N4O4S/c1-33-16-25-29-30-27(31(25)15-19-7-3-2-4-8-19)36-17-21-9-5-6-10-22(21)26(32)28-14-20-11-12-23-24(13-20)35-18-34-23/h2-13H,14-18H2,1H3,(H,28,32)

InChI Key

ALLZKJLOQKQTDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632533

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.33

Polar Surface Area

75.170

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V028-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0976?
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What is the minimum amount of V028-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0976
  • 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 V028-0976 available by request