V027-6564 Screening compound: 4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

V027-6564 Screening compound: 4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
V027-6564 Screening compound: 4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6564
4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)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

V027-6564

Molecular Formula

C25H22F2N4O2S (C25 H22 F2 N4 O2 S)

Compound Name

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

IUPAC name

4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

SMILES

COCc(n1-c(cc2)ccc2F)nnc1SCc(cc1)ccc1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C25H22F2N4O2S/c1-33-15-23-29-30-25(31(23)22-12-10-21(27)11-13-22)34-16-18-2-6-19(7-3-18)24(32)28-14-17-4-8-20(26)9-5-17/h2-13H,14-16H2,1H3,(H,28,32)

InChI Key

PDANHUDEBHTHMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632353

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.439

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.80

Polar Surface Area

58.797

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V027-6564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6564?
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What is the minimum amount of V027-6564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6564
  • 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 V027-6564 available by request