1945-0019 Screening compound: 5-bromo-1-{[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

1945-0019 Screening compound: 5-bromo-1-{[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione
1945-0019 Screening compound: 5-bromo-1-{[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1945-0019
5-bromo-1-{[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

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

1945-0019

Molecular Formula

C25H20BrN3O3 (C25 H20 BrN3 O3)

Compound Name

5-bromo-1-{[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

IUPAC name

5-bromo-1-{[3-(4-methoxyphenyl)-5-phenyl-45-dihydro-1H-pyrazol-1-yl]methyl}-23-dihydro-1H-indole-23-dione

SMILES

COc(cc1)ccc1C(C1)=NN(CN(c(ccc(Br)c2)c2C2=O)C2=O)C1c1ccccc1

InChI

InChI=1S/C25H20BrN3O3/c1-32-19-10-7-16(8-11-19)21-14-23(17-5-3-2-4-6-17)29(27-21)15-28-22-12-9-18(26)13-20(22)24(30)25(28)31/h2-13,23H,14-15H2,1H3/t23-/m0/s1

InChI Key

CIIRNXZYPYHXJE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01068287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-5.46

Polar Surface Area

53.190

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

1945-0019 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1945-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1945-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1945-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1945-0019
  • 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 1945-0019 available by request