3797-0547 Screening compound: (6Z)-6-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0547 Screening compound: (6Z)-6-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0547 Screening compound: (6Z)-6-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0547
(6Z)-6-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-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

3797-0547

Molecular Formula

C24H22ClFN4O3S (C24 H22 ClFN4 O3 S)

Compound Name

(6Z)-6-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc1cc(/C=C(/C(N2N=C(C(C)C)SC2=N2)=N)\C2=O)cc(Cl)c1OCc(cc1)ccc1F

InChI

InChI=1S/C24H22ClFN4O3S/c1-4-32-19-11-15(10-18(25)20(19)33-12-14-5-7-16(26)8-6-14)9-17-21(27)30-24(28-22(17)31)34-23(29-30)13(2)3/h5-11,13,27H,4,12H2,1-3H3

InChI Key

YGPFYAKNQDUWBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02991007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-5.90

Polar Surface Area

69.630

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3797-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0547?
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What is the minimum amount of 3797-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0547
  • 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 3797-0547 available by request