C679-1021 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-{[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C679-1021 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-{[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C679-1021 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-{[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-1021
(6Z)-3-(ethylsulfanyl)-5-imino-6-{[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

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

C679-1021

Molecular Formula

C21H17N7O3S3 (C21 H17 N7 O3 S3)

Compound Name

(6Z)-3-(ethylsulfanyl)-5-imino-6-{[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-3-(ethylsulfanyl)-5-imino-6-{[4-({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCSC(N1C(/C2=C/c(cc3)ccc3OCC(N=C3SC(C)=NN33)=CC3=O)=N)=NSC1=NC2=O

InChI

InChI=1S/C21H17N7O3S3/c1-3-32-21-26-34-19-24-18(30)15(17(22)27(19)21)8-12-4-6-14(7-5-12)31-10-13-9-16(29)28-20(23-13)33-11(2)25-28/h4-9,22H,3,10H2,1-2H3

InChI Key

SMGRAGKOKBVHKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.07

Polar Surface Area

97.172

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C679-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-1021?
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What is the minimum amount of C679-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-1021
  • 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 C679-1021 available by request