V027-9489 Screening compound: 2-({[5-benzyl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide

V027-9489 Screening compound: 2-({[5-benzyl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
V027-9489 Screening compound: 2-({[5-benzyl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9489
2-({[5-benzyl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)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

V027-9489

Molecular Formula

C26H25FN4O2S (C26 H25 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1c(CSc2nnc(Cc3ccccc3)n2-c(cccc2)c2F)cccc1)=O

InChI

InChI=1S/C26H25FN4O2S/c1-33-16-15-28-25(32)21-12-6-5-11-20(21)18-34-26-30-29-24(17-19-9-3-2-4-10-19)31(26)23-14-8-7-13-22(23)27/h2-14H,15-18H2,1H3,(H,28,32)

InChI Key

LEJVUWKZUHFVID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632403

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.41

Polar Surface Area

58.257

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V027-9489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9489?
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What is the minimum amount of V027-9489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9489
  • 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 V027-9489 available by request