C795-1490 Screening compound: 4-{2-METHYL-1H,4H,5H,6H,7H,8H-CYCLOHEPTA[B]PYRROL-1-YL}BENZOIC ACID

C795-1490 Screening compound: 4-{2-METHYL-1H,4H,5H,6H,7H,8H-CYCLOHEPTA[B]PYRROL-1-YL}BENZOIC ACID
C795-1490 Screening compound: 4-{2-METHYL-1H,4H,5H,6H,7H,8H-CYCLOHEPTA[B]PYRROL-1-YL}BENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1490
4-{2-METHYL-1H,4H,5H,6H,7H,8H-CYCLOHEPTA[B]PYRROL-1-YL}BENZOIC 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

C795-1490

Molecular Formula

C17H19NO2 (C17 H19 NO2)

Compound Name

4-{2-METHYL-1H,4H,5H,6H,7H,8H-CYCLOHEPTA[B]PYRROL-1-YL}BENZOIC ACID

IUPAC name

n/a

SMILES

Cc1cc(CCCCC2)c2n1-c(cc1)ccc1C(O)=O

InChI

InChI=1S/C17H19NO2/c1-12-11-14-5-3-2-4-6-16(14)18(12)15-9-7-13(8-10-15)17(19)20/h7-11H,2-6H2,1H3,(H,19,20)

InChI Key

GHFQGKGCAPQKPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

1.223

Water Solubility, LogSw

-4.06

Polar Surface Area

31.548

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C795-1490 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C795-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1490?
Check Price and Availability of C795-1490, 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 C795-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1490
  • 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 C795-1490 available by request