3330-2800 Screening compound: 3,5-dimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide

3330-2800 Screening compound: 3,5-dimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3330-2800 Screening compound: 3,5-dimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-2800
3,5-dimethoxy-N-{[4-(2-methoxyphenyl)-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

3330-2800

Molecular Formula

C19H20N4O4S (C19 H20 N4 O4 S)

Compound Name

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

IUPAC name

35-dimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}benzamide

SMILES

COc1cc(C(NCC(N2c(cccc3)c3OC)=NNC2=S)=O)cc(OC)c1

InChI

InChI=1S/C19H20N4O4S/c1-25-13-8-12(9-14(10-13)26-2)18(24)20-11-17-21-22-19(28)23(17)15-6-4-5-7-16(15)27-3/h4-10H,11H2,1-3H3,(H,20,24)(H,22,28)

InChI Key

KJANIKKAWFJQQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.740

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-3.40

Polar Surface Area

73.931

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3330-2800 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3330-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-2800?
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What is the minimum amount of 3330-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-2800
  • 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 3330-2800 available by request