V018-9093 Screening compound: 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

V018-9093 Screening compound: 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
V018-9093 Screening compound: 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9093
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

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

V018-9093

Molecular Formula

C22H23ClN4O2S (C22 H23 ClN4 O2 S)

Compound Name

2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

Cc(cccc1)c1-n1c(SCC(NCC2OCCC2)=O)nnc1-c(cccc1)c1Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-15-7-2-5-11-19(15)27-21(17-9-3-4-10-18(17)23)25-26-22(27)30-14-20(28)24-13-16-8-6-12-29-16/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,24,28)/t16-/m1/s1

InChI Key

PNMULIHBIBYJFP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19844443

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.85

Polar Surface Area

57.537

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V018-9093 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V018-9093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9093?
Check Price and Availability of V018-9093, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-9093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9093
  • 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 V018-9093 available by request