V027-9755 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V027-9755 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V027-9755 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9755
N-[(4-fluorophenyl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-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

V027-9755

Molecular Formula

C29H24FN5O2S (C29 H24 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-n1c(SCc(cccc2)c2C(NCc(cc2)ccc2F)=O)nnc1-c1cnccc1

InChI

InChI=1S/C29H24FN5O2S/c1-37-26-11-5-4-10-25(26)35-27(21-8-6-16-31-18-21)33-34-29(35)38-19-22-7-2-3-9-24(22)28(36)32-17-20-12-14-23(30)15-13-20/h2-16,18H,17,19H2,1H3,(H,32,36)

InChI Key

MMXORGATVJRGOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632464

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.741

Distribution Coefficient, logD

4.736

Water Solubility, LogSw

-4.39

Polar Surface Area

65.973

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with V027-9755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9755?
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What is the minimum amount of V027-9755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9755
  • 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 V027-9755 available by request