V027-9790 Screening compound: N-(2-methoxyethyl)-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V027-9790 Screening compound: N-(2-methoxyethyl)-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V027-9790 Screening compound: N-(2-methoxyethyl)-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 V027-9790
N-(2-methoxyethyl)-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

V027-9790

Molecular Formula

C25H25N5O3S (C25 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1c(CSc2nnc(-c3cnccc3)n2-c(cccc2)c2OC)cccc1)=O

InChI

InChI=1S/C25H25N5O3S/c1-32-15-14-27-24(31)20-10-4-3-8-19(20)17-34-25-29-28-23(18-9-7-13-26-16-18)30(25)21-11-5-6-12-22(21)33-2/h3-13,16H,14-15,17H2,1-2H3,(H,27,31)

InChI Key

VKVBRQODKOLESE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632483

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.57

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

3.205

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.52

Polar Surface Area

74.429

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V027-9790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9790?
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What is the minimum amount of V027-9790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9790
  • 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 V027-9790 available by request