V005-1387 Screening compound: methyl 2-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

V005-1387 Screening compound: methyl 2-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
V005-1387 Screening compound: methyl 2-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1387
methyl 2-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

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

V005-1387

Molecular Formula

C22H18ClN3O3S (C22 H18 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1-n1c(SCc(cccc2)c2C(OC)=O)nnc1-c1ccco1

InChI

InChI=1S/C22H18ClN3O3S/c1-14-9-10-16(23)12-18(14)26-20(19-8-5-11-29-19)24-25-22(26)30-13-15-6-3-4-7-17(15)21(27)28-2/h3-12H,13H2,1-2H3

InChI Key

TXILJCOTPWNOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775977

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.92

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

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.86

Polar Surface Area

54.164

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with V005-1387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1387?
Check Price and Availability of V005-1387, 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 V005-1387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1387
  • 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 V005-1387 available by request