6177-0424 Screening compound: 10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-7-carboxylic acid

6177-0424 Screening compound: 10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-7-carboxylic acid
6177-0424 Screening compound: 10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-7-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-0424
10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-7-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

6177-0424

Molecular Formula

C21H21NO2 (C21 H21 NO2)

Compound Name

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

IUPAC name

10-phenyl-9-azatetracyclo[10.2.1.0^{211}.0^{38}]pentadeca-357-triene-7-carboxylic acid

SMILES

OC(c(cccc1C2C3C4CC2CC4)c1NC3c1ccccc1)=O

InChI

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

InChI Key

PDTXZAZUEFJOMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03724278

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

4.323

Distribution Coefficient, logD

1.855

Water Solubility, LogSw

-4.38

Polar Surface Area

38.764

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

38.10

6177-0424 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6177-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-0424?
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What is the minimum amount of 6177-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-0424
  • 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 6177-0424 available by request