2515-5728 Screening compound: N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide

2515-5728 Screening compound: N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide
2515-5728 Screening compound: N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2515-5728
N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide

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

2515-5728

Molecular Formula

C15H11F3N4OS2 (C15 H11 F3 N4 OS2)

Compound Name

N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide

IUPAC name

N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-45-dihydro-1H-124-triazol-3-yl}methyl)thiophene-2-carboxamide

SMILES

O=C(c1cccs1)NCC(N1c2cc(C(F)(F)F)ccc2)=NNC1=S

InChI

InChI=1S/C15H11F3N4OS2/c16-15(17,18)9-3-1-4-10(7-9)22-12(20-21-14(22)24)8-19-13(23)11-5-2-6-25-11/h1-7H,8H2,(H,19,23)(H,21,24)

InChI Key

XREMAOMGBNHUPF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

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

3.306

Distribution Coefficient, logD

2.972

Water Solubility, LogSw

-3.68

Polar Surface Area

52.532

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 2515-5728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2515-5728?
Check Price and Availability of 2515-5728, 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 2515-5728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2515-5728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2515-5728
  • 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 2515-5728 available by request