V029-5618 Screening compound: 3-(methoxymethyl)-4-(4-methylphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V029-5618 Screening compound: 3-(methoxymethyl)-4-(4-methylphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V029-5618 Screening compound: 3-(methoxymethyl)-4-(4-methylphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5618
3-(methoxymethyl)-4-(4-methylphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

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

V029-5618

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

3-(methoxymethyl)-4-(4-methylphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

IUPAC name

3-(methoxymethyl)-4-(4-methylphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

Cc(cc1)ccc1-n1c(SCc(cccc2)c2C(N2CCCC2)=O)nnc1COC

InChI

InChI=1S/C23H26N4O2S/c1-17-9-11-19(12-10-17)27-21(15-29-2)24-25-23(27)30-16-18-7-3-4-8-20(18)22(28)26-13-5-6-14-26/h3-4,7-12H,5-6,13-16H2,1-2H3

InChI Key

YTEAWLHRYAAYBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633249

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.59

Polar Surface Area

51.398

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with V029-5618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5618?
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What is the minimum amount of V029-5618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5618
  • 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 V029-5618 available by request