3773-4333 Screening compound: (6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3773-4333 Screening compound: (6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3773-4333 Screening compound: (6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3773-4333
(6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-2-propyl-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

3773-4333

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

(6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-2-propyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCC(SC1=NC(/C2=C\c(cc3)ccc3OCCOc3ccccc3)=O)=NN1C2=N

InChI

InChI=1S/C23H22N4O3S/c1-2-6-20-26-27-21(24)19(22(28)25-23(27)31-20)15-16-9-11-18(12-10-16)30-14-13-29-17-7-4-3-5-8-17/h3-5,7-12,15,24H,2,6,13-14H2,1H3

InChI Key

HQDDUWKXTQCULM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-4.17

Polar Surface Area

69.486

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 3773-4333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3773-4333?
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What is the minimum amount of 3773-4333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3773-4333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3773-4333
  • 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 3773-4333 available by request