C679-4395 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4,5-trimethoxybenzamide

C679-4395 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4,5-trimethoxybenzamide
C679-4395 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4395
N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4,5-trimethoxybenzamide

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

C679-4395

Molecular Formula

C24H24N4O6S (C24 H24 N4 O6 S)

Compound Name

N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[3-({2-ethyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]-345-trimethoxybenzamide

SMILES

CCC(SC1=NC(COc2cc(NC(c(cc3OC)cc(OC)c3OC)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C24H24N4O6S/c1-5-20-27-28-21(29)12-16(26-24(28)35-20)13-34-17-8-6-7-15(11-17)25-23(30)14-9-18(31-2)22(33-4)19(10-14)32-3/h6-12H,5,13H2,1-4H3,(H,25,30)

InChI Key

NAEFYRQCPSWVOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.59

Polar Surface Area

91.743

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C679-4395 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-4395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4395?
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What is the minimum amount of C679-4395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4395
  • 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 C679-4395 available by request