2085-0055 Screening compound: 5-bromo-1-{[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

2085-0055 Screening compound: 5-bromo-1-{[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione
2085-0055 Screening compound: 5-bromo-1-{[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-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 2085-0055
5-bromo-1-{[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-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

2085-0055

Molecular Formula

C25H19BrN4O5 (C25 H19 BrN4 O5)

Compound Name

5-bromo-1-{[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-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-(3-nitrophenyl)-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)C1c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C25H19BrN4O5/c1-35-19-8-5-15(6-9-19)21-13-23(16-3-2-4-18(11-16)30(33)34)29(27-21)14-28-22-10-7-17(26)12-20(22)24(31)25(28)32/h2-12,23H,13-14H2,1H3/t23-/m0/s1

InChI Key

DMEMGPNEXYNMTC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01152760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.378

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-5.43

Polar Surface Area

86.572

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

2085-0055 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2085-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2085-0055?
Check Price and Availability of 2085-0055, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2085-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2085-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2085-0055
  • 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 2085-0055 available by request