2515-5480 Screening compound: 4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide

2515-5480 Screening compound: 4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
2515-5480 Screening compound: 4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2515-5480
4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide

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

2515-5480

Molecular Formula

C20H21ClN4OS (C20 H21 ClN4 OS)

Compound Name

4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide

IUPAC name

4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NCC(N1c2cccc(Cl)c2)=NNC1=S)=O

InChI

InChI=1S/C20H21ClN4OS/c1-20(2,3)14-9-7-13(8-10-14)18(26)22-12-17-23-24-19(27)25(17)16-6-4-5-15(21)11-16/h4-11H,12H2,1-3H3,(H,22,26)(H,24,27)

InChI Key

JMULZOFPQWUKKH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-5.17

Polar Surface Area

51.514

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2515-5480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2515-5480?
Check Price and Availability of 2515-5480, 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 2515-5480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2515-5480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2515-5480
  • 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 2515-5480 available by request