C726-0204 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(pyrrolidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

C726-0204 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(pyrrolidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate
C726-0204 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(pyrrolidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-0204
4-{[(6E)-5-imino-7-oxo-2-(pyrrolidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

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

C726-0204

Molecular Formula

C22H19N5O4S2 (C22 H19 N5 O4 S2)

Compound Name

4-{[(6E)-5-imino-7-oxo-2-(pyrrolidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

IUPAC name

4-{[(6E)-5-imino-7-oxo-2-(pyrrolidin-1-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

SMILES

COc(cc(/C=C(\C(N1N=C(N2CCCC2)SC1=N1)=N)/C1=O)cc1)c1OC(c1cccs1)=O

InChI

InChI=1S/C22H19N5O4S2/c1-30-16-12-13(6-7-15(16)31-20(29)17-5-4-10-32-17)11-14-18(23)27-21(24-19(14)28)33-22(25-27)26-8-2-3-9-26/h4-7,10-12,23H,2-3,8-9H2,1H3

InChI Key

DMMFLWWYLVDFCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

0.928

Water Solubility, LogSw

-3.85

Polar Surface Area

87.534

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C726-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-0204?
Check Price and Availability of C726-0204, 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 C726-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-0204
  • 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 C726-0204 available by request