8012-1762 Screening compound: (6Z)-6-({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

8012-1762 Screening compound: (6Z)-6-({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
8012-1762 Screening compound: (6Z)-6-({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 8012-1762
(6Z)-6-({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

8012-1762

Molecular Formula

C22H19FN4O2S (C22 H19 FN4 O2 S)

Compound Name

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

SMILES

CC(C)C(SC1=NC(/C2=C\c(cc3)ccc3OCc(cc3)ccc3F)=O)=NN1C2=N

InChI

InChI=1S/C22H19FN4O2S/c1-13(2)21-26-27-19(24)18(20(28)25-22(27)30-21)11-14-5-9-17(10-6-14)29-12-15-3-7-16(23)8-4-15/h3-11,13,24H,12H2,1-2H3

InChI Key

ZZUFUNHXIUWDQC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-4.40

Polar Surface Area

62.246

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8012-1762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1762?
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What is the minimum amount of 8012-1762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1762
  • 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 8012-1762 available by request