L123-0397 Screening compound: 1-{4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}-4-(pyridin-2-yl)piperazine

L123-0397 Screening compound: 1-{4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}-4-(pyridin-2-yl)piperazine
L123-0397 Screening compound: 1-{4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L123-0397
1-{4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}-4-(pyridin-2-yl)piperazine

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

L123-0397

Molecular Formula

C32H34N4O2 (C32 H34 N4 O2)

Compound Name

1-{4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{4-[2-(3-methoxyphenyl)-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl]benzoyl}-4-(pyridin-2-yl)piperazine

SMILES

COc1cccc(-c2cc(CCCCC3)c3n2-c(cc2)ccc2C(N(CC2)CCN2c2ncccc2)=O)c1

InChI

InChI=1S/C32H34N4O2/c1-38-28-10-7-9-25(22-28)30-23-26-8-3-2-4-11-29(26)36(30)27-15-13-24(14-16-27)32(37)35-20-18-34(19-21-35)31-12-5-6-17-33-31/h5-7,9-10,12-17,22-23H,2-4,8,11,18-21H2,1H3

InChI Key

GVSSEGSKDAJIGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.232

Distribution Coefficient, logD

6.223

Water Solubility, LogSw

-5.40

Polar Surface Area

37.861

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

L123-0397 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L123-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L123-0397?
Check Price and Availability of L123-0397, 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 L123-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L123-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L123-0397
  • 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 L123-0397 available by request