C726-2161 Screening compound: 4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate

C726-2161 Screening compound: 4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate
C726-2161 Screening compound: 4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-2161
4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate

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

C726-2161

Molecular Formula

C23H18ClN5O4S (C23 H18 ClN5 O4 S)

Compound Name

4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate

IUPAC name

4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate

SMILES

N=C(/C1=C\c(cc2)ccc2OC(c(cc2)ccc2Cl)=O)N2N=C(N3CCOCC3)SC2=NC1=O

InChI

InChI=1S/C23H18ClN5O4S/c24-16-5-3-15(4-6-16)21(31)33-17-7-1-14(2-8-17)13-18-19(25)29-22(26-20(18)30)34-23(27-29)28-9-11-32-12-10-28/h1-8,13,25H,9-12H2

InChI Key

DIFXFJGTFNYZFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

0.743

Water Solubility, LogSw

-4.17

Polar Surface Area

86.341

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C726-2161 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C726-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-2161?
Check Price and Availability of C726-2161, 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 C726-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-2161
  • 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 C726-2161 available by request