V001-4796 Screening compound: 3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V001-4796 Screening compound: 3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V001-4796 Screening compound: 3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4796
3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-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

V001-4796

Molecular Formula

C20H19F2N3O2S (C20 H19 F2 N3 O2 S)

Compound Name

3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(26-difluorophenyl)methyl]sulfanyl}-5-(35-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

COc1cc(-c(n2CC=C)nnc2SCc(c(F)ccc2)c2F)cc(OC)c1

InChI

InChI=1S/C20H19F2N3O2S/c1-4-8-25-19(13-9-14(26-2)11-15(10-13)27-3)23-24-20(25)28-12-16-17(21)6-5-7-18(16)22/h4-7,9-11H,1,8,12H2,2-3H3

InChI Key

IZOWXBDATBVVDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843550

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

403.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.826

Water Solubility, LogSw

-4.75

Polar Surface Area

39.307

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V001-4796 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-4796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4796?
Check Price and Availability of V001-4796, 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 V001-4796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4796
  • 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 V001-4796 available by request