3948-0281 Screening compound: (6Z)-5-imino-6-[(2-methoxyphenyl)methylidene]-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3948-0281 Screening compound: (6Z)-5-imino-6-[(2-methoxyphenyl)methylidene]-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3948-0281 Screening compound: (6Z)-5-imino-6-[(2-methoxyphenyl)methylidene]-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3948-0281
(6Z)-5-imino-6-[(2-methoxyphenyl)methylidene]-2-(trifluoromethyl)-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

3948-0281

Molecular Formula

C14H9F3N4O2S (C14 H9 F3 N4 O2 S)

Compound Name

(6Z)-5-imino-6-[(2-methoxyphenyl)methylidene]-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-[(2-methoxyphenyl)methylidene]-2-(trifluoromethyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

COc1c(/C=C(/C(N2N=C(C(F)(F)F)SC2=N2)=N)\C2=O)cccc1

InChI

InChI=1S/C14H9F3N4O2S/c1-23-9-5-3-2-4-7(9)6-8-10(18)21-13(19-11(8)22)24-12(20-21)14(15,16)17/h2-6,18H,1H3

InChI Key

ZHPVJDCRYCGTIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-2.71

Polar Surface Area

62.649

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3948-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3948-0281?
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What is the minimum amount of 3948-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3948-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3948-0281
  • 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 3948-0281 available by request