V005-0690 Screening compound: 4-[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

V005-0690 Screening compound: 4-[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine
V005-0690 Screening compound: 4-[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0690
4-[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

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

V005-0690

Molecular Formula

C26H22Cl2N4O2S (C26 H22 Cl2 N4 O2 S)

Compound Name

4-[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

IUPAC name

4-[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

SMILES

O=C(c1c(CSc2nnc(-c(cccc3)c3Cl)n2-c2cc(Cl)ccc2)cccc1)N1CCOCC1

InChI

InChI=1S/C26H22Cl2N4O2S/c27-19-7-5-8-20(16-19)32-24(22-10-3-4-11-23(22)28)29-30-26(32)35-17-18-6-1-2-9-21(18)25(33)31-12-14-34-15-13-31/h1-11,16H,12-15,17H2

InChI Key

UGYFYUWUTCMPLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499170

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.341

Distribution Coefficient, logD

5.341

Water Solubility, LogSw

-5.87

Polar Surface Area

49.269

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V005-0690 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with V005-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0690?
Check Price and Availability of V005-0690, 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 V005-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0690
  • 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 V005-0690 available by request