2515-5697 Screening compound: 3,4,5-trimethoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide

2515-5697 Screening compound: 3,4,5-trimethoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
2515-5697 Screening compound: 3,4,5-trimethoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2515-5697
3,4,5-trimethoxy-N-{[4-(4-nitrophenyl)-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

2515-5697

Molecular Formula

C19H19N5O6S (C19 H19 N5 O6 S)

Compound Name

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

IUPAC name

345-trimethoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}benzamide

SMILES

COc1cc(C(NCC(N2c(cc3)ccc3[N+]([O-])=O)=NNC2=S)=O)cc(OC)c1OC

InChI

InChI=1S/C19H19N5O6S/c1-28-14-8-11(9-15(29-2)17(14)30-3)18(25)20-10-16-21-22-19(31)23(16)12-4-6-13(7-5-12)24(26)27/h4-9H,10H2,1-3H3,(H,20,25)(H,22,31)

InChI Key

CBUYBUGVLTUYEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.321

Distribution Coefficient, logD

1.471

Water Solubility, LogSw

-2.96

Polar Surface Area

107.873

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

2515-5697 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2515-5697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2515-5697?
Check Price and Availability of 2515-5697, 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 2515-5697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2515-5697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2515-5697
  • 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 2515-5697 available by request