C679-4393 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4-dimethoxybenzamide

C679-4393 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4-dimethoxybenzamide
C679-4393 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4393
N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3,4-dimethoxybenzamide

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

C679-4393

Molecular Formula

C23H22N4O5S (C23 H22 N4 O5 S)

Compound Name

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

IUPAC name

N-[3-({2-ethyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]-34-dimethoxybenzamide

SMILES

CCC(SC1=NC(COc2cc(NC(c(cc3)cc(OC)c3OC)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C23H22N4O5S/c1-4-20-26-27-21(28)12-16(25-23(27)33-20)13-32-17-7-5-6-15(11-17)24-22(29)14-8-9-18(30-2)19(10-14)31-3/h5-12H,4,13H2,1-3H3,(H,24,29)

InChI Key

CICRTVQEWZYHCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.180

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.51

Polar Surface Area

84.025

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C679-4393 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C679-4393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4393?
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What is the minimum amount of C679-4393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4393
  • 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 C679-4393 available by request