V003-3542 Screening compound: N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V003-3542 Screening compound: N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V003-3542 Screening compound: N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3542
N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-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

V003-3542

Molecular Formula

C26H25N5O5S (C26 H25 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1ccc(CSc2nnc(-c(cc3)ccc3[N+]([O-])=O)n2-c(cccc2)c2OC)cc1)=O

InChI

InChI=1S/C26H25N5O5S/c1-35-16-15-27-25(32)20-9-7-18(8-10-20)17-37-26-29-28-24(19-11-13-21(14-12-19)31(33)34)30(26)22-5-3-4-6-23(22)36-2/h3-14H,15-17H2,1-2H3,(H,27,32)

InChI Key

PMXBUYSBZGVXPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785850

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.10

Polar Surface Area

98.292

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V003-3542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3542?
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What is the minimum amount of V003-3542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3542
  • 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 V003-3542 available by request