C679-1312 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-2-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C679-1312 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-2-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
C679-1312 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-2-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-1312
(6Z)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-2-methyl-5H,6H,7H-[1,3]thiazolo[3,2-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

C679-1312

Molecular Formula

C22H18N6O4S2 (C22 H18 N6 O4 S2)

Compound Name

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

IUPAC name

(6Z)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-2-methyl-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

CC(SC1=NC(/C2=C\c(cc3)cc(OC)c3OCC(N=C3SC(C)=NN33)=CC3=O)=O)=CN1C2=N

InChI

InChI=1S/C22H18N6O4S2/c1-11-9-27-19(23)15(20(30)25-21(27)33-11)6-13-4-5-16(17(7-13)31-3)32-10-14-8-18(29)28-22(24-14)34-12(2)26-28/h4-9,23H,10H2,1-3H3

InChI Key

YPCIZUVZHBJPMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.638

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-2.52

Polar Surface Area

95.611

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C679-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-1312?
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What is the minimum amount of C679-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-1312
  • 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 C679-1312 available by request