C726-2155 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 3-methylbenzoate

C726-2155 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 3-methylbenzoate
C726-2155 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 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-2155
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 3-methylbenzoate

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

C726-2155

Molecular Formula

C24H21N5O4S (C24 H21 N5 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 3-methylbenzoate

IUPAC name

4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl 3-methylbenzoate

SMILES

Cc1cccc(C(Oc2ccc(/C=C(\C(N3N=C(N4CCOCC4)SC3=N3)=N)/C3=O)cc2)=O)c1

InChI

InChI=1S/C24H21N5O4S/c1-15-3-2-4-17(13-15)22(31)33-18-7-5-16(6-8-18)14-19-20(25)29-23(26-21(19)30)34-24(27-29)28-9-11-32-12-10-28/h2-8,13-14,25H,9-12H2,1H3

InChI Key

TVOWPAASSHCSJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.53

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

2.899

Distribution Coefficient, logD

0.399

Water Solubility, LogSw

-3.35

Polar Surface Area

86.341

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C726-2155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-2155?
Check Price and Availability of C726-2155, 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 C726-2155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-2155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-2155
  • 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 C726-2155 available by request