D034-0034 Screening compound: 10-(3-methylphenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid

D034-0034 Screening compound: 10-(3-methylphenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid
D034-0034 Screening compound: 10-(3-methylphenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0034
10-(3-methylphenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid

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

D034-0034

Molecular Formula

C22H23NO2 (C22 H23 NO2)

Compound Name

10-(3-methylphenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid

IUPAC name

10-(3-methylphenyl)-9-azatetracyclo[10.2.1.0^{211}.0^{38}]pentadeca-357-triene-5-carboxylic acid

SMILES

Cc1cccc(C(C2C3C4CC2CC4)Nc(cc2)c3cc2C(O)=O)c1

InChI

InChI=1S/C22H23NO2/c1-12-3-2-4-15(9-12)21-20-14-6-5-13(10-14)19(20)17-11-16(22(24)25)7-8-18(17)23-21/h2-4,7-9,11,13-14,19-21,23H,5-6,10H2,1H3,(H,24,25)

InChI Key

PFBQDCGPGMFALE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.581

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-5.35

Polar Surface Area

41.016

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

40.90

D034-0034 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D034-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0034?
Check Price and Availability of D034-0034, 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 D034-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0034
  • 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 D034-0034 available by request