V027-0093 Screening compound: 4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide

V027-0093 Screening compound: 4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
V027-0093 Screening compound: 4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0093
4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)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

V027-0093

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

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

IUPAC name

4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide

SMILES

COc1cccc(-c(n2CC=C)nnc2SCc(cc2)ccc2C(NCc2ccncc2)=O)c1

InChI

InChI=1S/C26H25N5O2S/c1-3-15-31-24(22-5-4-6-23(16-22)33-2)29-30-26(31)34-18-20-7-9-21(10-8-20)25(32)28-17-19-11-13-27-14-12-19/h3-14,16H,1,15,17-18H2,2H3,(H,28,32)

InChI Key

ASFYIDAIUYMSMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784963

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.78

Polar Surface Area

65.604

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with V027-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0093?
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What is the minimum amount of V027-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0093
  • 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 V027-0093 available by request