4277-1295 Screening compound: (6Z)-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-1295 Screening compound: (6Z)-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-1295 Screening compound: (6Z)-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-1295
(6Z)-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-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

4277-1295

Molecular Formula

C24H21F3N4O5S (C24 H21 F3 N4 O5 S)

Compound Name

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

IUPAC name

(6Z)-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(trifluoromethyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cc(/C=C(/C(N1N=C(C(F)(F)F)SC1=N1)=N)\C1=O)cc1)c1OCCOc(cc1)ccc1OC

InChI

InChI=1S/C24H21F3N4O5S/c1-3-34-19-13-14(4-9-18(19)36-11-10-35-16-7-5-15(33-2)6-8-16)12-17-20(28)31-23(29-21(17)32)37-22(30-31)24(25,26)27/h4-9,12-13,28H,3,10-11H2,1-2H3

InChI Key

LCNCVPGWTUCTKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-3.81

Polar Surface Area

84.423

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4277-1295 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4277-1295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-1295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-1295
  • 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 4277-1295 available by request