Y500-5192 Screening compound: ethyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Y500-5192 Screening compound: ethyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Y500-5192 Screening compound: ethyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-5192
ethyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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

Y500-5192

Molecular Formula

C26H23F3N4O3S (C26 H23 F3 N4 O3 S)

Compound Name

ethyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C26H23F3N4O3S/c1-2-36-25(35)22-16-11-7-4-8-12-19(16)37-24(22)31-23(34)18-14-21-30-17(15-9-5-3-6-10-15)13-20(26(27,28)29)33(21)32-18/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H,31,34)

InChI Key

NHJVRDCINDASAP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.519

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-5.60

Polar Surface Area

62.288

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with Y500-5192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-5192?
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What is the minimum amount of Y500-5192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-5192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-5192
  • 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 Y500-5192 available by request