C592-1989 Screening compound: N-{[4-ethyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide

C592-1989 Screening compound: N-{[4-ethyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
C592-1989 Screening compound: N-{[4-ethyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-1989
N-{[4-ethyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide

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

C592-1989

Molecular Formula

C18H21N7O3S2 (C18 H21 N7 O3 S2)

Compound Name

N-{[4-ethyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide

IUPAC name

N-{[4-ethyl-5-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-4-methoxybenzamide

SMILES

CCn1c(SCC(Nc2nnc(C)s2)=O)nnc1CNC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C18H21N7O3S2/c1-4-25-14(9-19-16(27)12-5-7-13(28-3)8-6-12)22-24-18(25)29-10-15(26)20-17-23-21-11(2)30-17/h5-8H,4,9-10H2,1-3H3,(H,19,27)(H,20,23,26)

InChI Key

QTGNQTLCLZXPOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.445

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-2.28

Polar Surface Area

103.671

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C592-1989 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-1989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-1989
  • 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 C592-1989 available by request