5965-0286 Screening compound: (6Z)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5965-0286 Screening compound: (6Z)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5965-0286 Screening compound: (6Z)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5965-0286
(6Z)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[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

5965-0286

Molecular Formula

C20H15F3N4OS (C20 H15 F3 N4 OS)

Compound Name

(6Z)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({25-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cc(/C=C(/C(N(C=CS2)C2=N2)=N)\C2=O)c(C)n1-c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H15F3N4OS/c1-11-8-13(9-16-17(24)26-6-7-29-19(26)25-18(16)28)12(2)27(11)15-5-3-4-14(10-15)20(21,22)23/h3-10,24H,1-2H3

InChI Key

FRSDTSUILLFKLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04192934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.42

Polar Surface Area

45.335

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 5965-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5965-0286?
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What is the minimum amount of 5965-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5965-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5965-0286
  • 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 5965-0286 available by request