C679-4384 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide

C679-4384 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide
C679-4384 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4384
N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide

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

C679-4384

Molecular Formula

C23H22N4O3S2 (C23 H22 N4 O3 S2)

Compound Name

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

IUPAC name

N-[3-({2-ethyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide

SMILES

CCC(SC1=NC(COc2cc(NC(CSc3ccc(C)cc3)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C23H22N4O3S2/c1-3-21-26-27-22(29)12-17(25-23(27)32-21)13-30-18-6-4-5-16(11-18)24-20(28)14-31-19-9-7-15(2)8-10-19/h4-12H,3,13-14H2,1-2H3,(H,24,28)

InChI Key

KSEJOFNDPWRZJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.35

Polar Surface Area

68.551

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C679-4384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4384?
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What is the minimum amount of C679-4384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4384
  • 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 C679-4384 available by request