C679-1130 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-3-(propan-2-ylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C679-1130 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-3-(propan-2-ylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C679-1130 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-3-(propan-2-ylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-1130
(6Z)-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-3-(propan-2-ylsulfanyl)-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

C679-1130

Molecular Formula

C23H21N7O3S3 (C23 H21 N7 O3 S3)

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-3-(propan-2-ylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-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-3-(propan-2-ylsulfanyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCC(SC1=NC(COc2ccc(/C=C(/C(N(C(SC(C)C)=NS3)C3=N3)=N)\C3=O)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C23H21N7O3S3/c1-4-17-27-30-18(31)10-14(25-22(30)35-17)11-33-15-7-5-13(6-8-15)9-16-19(24)29-21(26-20(16)32)36-28-23(29)34-12(2)3/h5-10,12,24H,4,11H2,1-3H3

InChI Key

XHKQIOMWKBQZMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.68

Polar Surface Area

97.903

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C679-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-1130?
Check Price and Availability of C679-1130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C679-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-1130
  • 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 C679-1130 available by request