J099-0075 Screening compound: 5-[(4-benzhydrylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

J099-0075 Screening compound: 5-[(4-benzhydrylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one
J099-0075 Screening compound: 5-[(4-benzhydrylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-0075
5-[(4-benzhydrylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-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

J099-0075

Molecular Formula

C29H27N3O2 (C29 H27 N3 O2)

Compound Name

5-[(4-benzhydrylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

IUPAC name

10-[4-(diphenylmethyl)piperazine-1-carbonyl]-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraen-9-one

SMILES

O=C(C1=CN(CCc2ccc3)c2c3C1=O)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C29H27N3O2/c33-28-24-13-7-12-23-14-15-32(27(23)24)20-25(28)29(34)31-18-16-30(17-19-31)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,26H,14-19H2

InChI Key

IMVZFEYEAAOOJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.48

Polar Surface Area

36.458

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

J099-0075 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J099-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-0075?
Check Price and Availability of J099-0075, 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 J099-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-0075
  • 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 J099-0075 available by request