V007-9717 Screening compound: tert-butyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V007-9717 Screening compound: tert-butyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V007-9717 Screening compound: tert-butyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9717
tert-butyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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

V007-9717

Molecular Formula

C21H22ClN3O3S (C21 H22 ClN3 O3 S)

Compound Name

tert-butyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

tert-butyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

CC(C)(C)OC(CSc1nnc(-c(cccc2)c2Cl)n1-c(cccc1)c1OC)=O

InChI

InChI=1S/C21H22ClN3O3S/c1-21(2,3)28-18(26)13-29-20-24-23-19(14-9-5-6-10-15(14)22)25(20)16-11-7-8-12-17(16)27-4/h5-12H,13H2,1-4H3

InChI Key

UWAVXUGPKASAQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775903

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-4.93

Polar Surface Area

51.582

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V007-9717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9717?
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What is the minimum amount of V007-9717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9717
  • 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 V007-9717 available by request