C679-0704 Screening compound: (6E)-6-{[3-ethoxy-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-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C679-0704 Screening compound: (6E)-6-{[3-ethoxy-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-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C679-0704 Screening compound: (6E)-6-{[3-ethoxy-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-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0704
(6E)-6-{[3-ethoxy-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-[1,3,4]thiadiazolo[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

C679-0704

Molecular Formula

C23H21N7O4S2 (C23 H21 N7 O4 S2)

Compound Name

(6E)-6-{[3-ethoxy-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-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

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

SMILES

CCC(SC1=NC(COc(ccc(/C=C(\C(N2N=C(C)SC2=N2)=N)/C2=O)c2)c2OCC)=C2)=NN1C2=O

InChI

InChI=1S/C23H21N7O4S2/c1-4-18-28-29-19(31)10-14(25-22(29)36-18)11-34-16-7-6-13(9-17(16)33-5-2)8-15-20(24)30-23(26-21(15)32)35-12(3)27-30/h6-10,24H,4-5,11H2,1-3H3

InChI Key

KPCGMDNPKPBOOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

1.077

Water Solubility, LogSw

-2.84

Polar Surface Area

106.924

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C679-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0704?
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What is the minimum amount of C679-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0704
  • 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 C679-0704 available by request