C679-1310 Screening compound: (6Z)-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-2-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C679-1310 Screening compound: (6Z)-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-2-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
C679-1310 Screening compound: (6Z)-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-2-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-1310
(6Z)-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-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

C679-1310

Molecular Formula

C22H18N6O3S2 (C22 H18 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(SC1=NC(COc2ccc(/C=C(/C(N(C=C(C)S3)C3=N3)=N)\C3=O)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C22H18N6O3S2/c1-3-17-26-28-18(29)9-14(24-22(28)33-17)11-31-15-6-4-13(5-7-15)8-16-19(23)27-10-12(2)32-21(27)25-20(16)30/h4-10,23H,3,11H2,1-2H3

InChI Key

BSFKXDCAGGKQOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-2.67

Polar Surface Area

88.624

Acid Dissociation Constant (pKa)

23.59

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 C679-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-1310?
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What is the minimum amount of C679-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-1310
  • 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 C679-1310 available by request