6028-3969 Screening compound: 10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxylic acid

6028-3969 Screening compound: 10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxylic acid
6028-3969 Screening compound: 10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6028-3969
10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-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

6028-3969

Molecular Formula

C21H21NO2 (C21 H21 NO2)

Compound Name

10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxylic acid

IUPAC name

10-phenyl-9-azatetracyclo[10.2.1.0^{211}.0^{38}]pentadeca-3(8)46-triene-5-carboxylic acid

SMILES

OC(c(cc1)cc(C2C3C4CC2CC4)c1NC3c1ccccc1)=O

InChI

InChI=1S/C21H21NO2/c23-21(24)15-8-9-17-16(11-15)18-13-6-7-14(10-13)19(18)20(22-17)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,18-20,22H,6-7,10H2,(H,23,24)

InChI Key

PEIGAFLQZLAFNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

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

5.078

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-5.05

Polar Surface Area

41.016

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

38.10

6028-3969 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6028-3969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6028-3969?
Check Price and Availability of 6028-3969, 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 6028-3969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6028-3969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6028-3969
  • 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 6028-3969 available by request