V008-6128 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole

V008-6128 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole
V008-6128 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6128
3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-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

V008-6128

Molecular Formula

C20H15F2N3O2S (C20 H15 F2 N3 O2 S)

Compound Name

3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole

IUPAC name

3-{[(24-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-124-triazole

SMILES

COc(cccc1)c1-n1c(SCc(ccc(F)c2)c2F)nnc1-c1ccco1

InChI

InChI=1S/C20H15F2N3O2S/c1-26-17-6-3-2-5-16(17)25-19(18-7-4-10-27-18)23-24-20(25)28-12-13-8-9-14(21)11-15(13)22/h2-11H,12H2,1H3

InChI Key

ZEMCIHCQYMNNRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775853

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

399.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.442

Distribution Coefficient, logD

4.442

Water Solubility, LogSw

-4.35

Polar Surface Area

40.620

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with V008-6128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6128?
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What is the minimum amount of V008-6128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6128
  • 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 V008-6128 available by request