C679-0734 Screening compound: (6E)-2-butyl-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C679-0734 Screening compound: (6E)-2-butyl-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C679-0734 Screening compound: (6E)-2-butyl-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0734
(6E)-2-butyl-6-{[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5-imino-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

C679-0734

Molecular Formula

C24H23N7O3S2 (C24 H23 N7 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(SC1=NC(/C2=C/c(cc3)ccc3OCC(N=C3SC(CC)=NN33)=CC3=O)=O)=NN1C2=N

InChI

InChI=1S/C24H23N7O3S2/c1-3-5-6-19-29-31-21(25)17(22(33)27-24(31)36-19)11-14-7-9-16(10-8-14)34-13-15-12-20(32)30-23(26-15)35-18(4-2)28-30/h7-12,25H,3-6,13H2,1-2H3

InChI Key

UTQGFLZBTSUNDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-3.86

Polar Surface Area

100.357

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C679-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0734?
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What is the minimum amount of C679-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0734
  • 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 C679-0734 available by request