C356-0576 Screening compound: (6E)-6-{[4-(benzyloxy)phenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0576 Screening compound: (6E)-6-{[4-(benzyloxy)phenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0576 Screening compound: (6E)-6-{[4-(benzyloxy)phenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0576
(6E)-6-{[4-(benzyloxy)phenyl]methylidene}-2-(ethanesulfonyl)-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

C356-0576

Molecular Formula

C21H18N4O4S2 (C21 H18 N4 O4 S2)

Compound Name

(6E)-6-{[4-(benzyloxy)phenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-{[4-(benzyloxy)phenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCS(C(SC1=NC(/C2=C/c(cc3)ccc3OCc3ccccc3)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C21H18N4O4S2/c1-2-31(27,28)21-24-25-18(22)17(19(26)23-20(25)30-21)12-14-8-10-16(11-9-14)29-13-15-6-4-3-5-7-15/h3-12,22H,2,13H2,1H3

InChI Key

CHQLGIUGBNGVHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.51

Polar Surface Area

91.066

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C356-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0576?
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What is the minimum amount of C356-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0576
  • 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 C356-0576 available by request