V011-4958 Screening compound: methyl 5-({[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

V011-4958 Screening compound: methyl 5-({[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
V011-4958 Screening compound: methyl 5-({[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4958
methyl 5-({[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

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

V011-4958

Molecular Formula

C22H18FN3O3S (C22 H18 FN3 O3 S)

Compound Name

methyl 5-({[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

IUPAC name

methyl 5-({[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

SMILES

Cc(cc1)ccc1-n1c(SCc2ccc(C(OC)=O)o2)nnc1-c(cc1)ccc1F

InChI

InChI=1S/C22H18FN3O3S/c1-14-3-9-17(10-4-14)26-20(15-5-7-16(23)8-6-15)24-25-22(26)30-13-18-11-12-19(29-18)21(27)28-2/h3-12H,13H2,1-2H3

InChI Key

KLUADSGHIBRGSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843885

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-5.27

Polar Surface Area

53.728

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with V011-4958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4958?
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What is the minimum amount of V011-4958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4958
  • 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 V011-4958 available by request