8602-0049 Screening compound: 5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione

8602-0049 Screening compound: 5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
8602-0049 Screening compound: 5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0049
5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione

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

8602-0049

Molecular Formula

C25H20F3N5O4 (C25 H20 F3 N5 O4)

Compound Name

5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione

IUPAC name

5-(5-methyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-1-(2-phenylethyl)-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidine-246-trione

SMILES

CC(NN1c2ccccc2)=C(C(C(F)(F)F)(C(C(N2)=O)=C(N3)N(CCc4ccccc4)C2=O)C3=O)C1=O

InChI

InChI=1S/C25H20F3N5O4/c1-14-17(21(35)33(31-14)16-10-6-3-7-11-16)24(25(26,27)28)18-19(29-22(24)36)32(23(37)30-20(18)34)13-12-15-8-4-2-5-9-15/h2-11,31H,12-13H2,1H3,(H,29,36)(H,30,34,37)/t24-/m1/s1

InChI Key

RIHHNCUDOWMFSI-XMMPIXPASA-N

MDL Number (MFCD)

MFCD06003584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-3.34

Polar Surface Area

93.806

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8602-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0049?
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What is the minimum amount of 8602-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0049
  • 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 8602-0049 available by request