C356-0771 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate

C356-0771 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate
C356-0771 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0771
2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate

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

C356-0771

Molecular Formula

C22H17ClN4O6S2 (C22 H17 ClN4 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCS(C(SC1=NC(/C2=C/c(cc3)cc(Cl)c3OC(c3cc(OC)ccc3)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C22H17ClN4O6S2/c1-3-35(30,31)22-26-27-18(24)15(19(28)25-21(27)34-22)9-12-7-8-17(16(23)10-12)33-20(29)13-5-4-6-14(11-13)32-2/h4-11,24H,3H2,1-2H3

InChI Key

RNUUZKBYKBCHCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.99

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.91

Polar Surface Area

111.847

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C356-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0771?
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What is the minimum amount of C356-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0771
  • 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 C356-0771 available by request