L123-0794 Screening compound: 1-(furan-2-carbonyl)-4-{4-[2-(4-methylphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}piperazine

L123-0794 Screening compound: 1-(furan-2-carbonyl)-4-{4-[2-(4-methylphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}piperazine
L123-0794 Screening compound: 1-(furan-2-carbonyl)-4-{4-[2-(4-methylphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L123-0794
1-(furan-2-carbonyl)-4-{4-[2-(4-methylphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}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

L123-0794

Molecular Formula

C32H33N3O3 (C32 H33 N3 O3)

Compound Name

1-(furan-2-carbonyl)-4-{4-[2-(4-methylphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzoyl}piperazine

IUPAC name

1-(furan-2-carbonyl)-4-{4-[2-(4-methylphenyl)-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl]benzoyl}piperazine

SMILES

Cc(cc1)ccc1-c1cc(CCCCC2)c2n1-c(cc1)ccc1C(N(CC1)CCN1C(c1ccco1)=O)=O

InChI

InChI=1S/C32H33N3O3/c1-23-9-11-24(12-10-23)29-22-26-6-3-2-4-7-28(26)35(29)27-15-13-25(14-16-27)31(36)33-17-19-34(20-18-33)32(37)30-8-5-21-38-30/h5,8-16,21-22H,2-4,6-7,17-20H2,1H3

InChI Key

QZSBMWLBOHEURL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

5.622

Water Solubility, LogSw

-5.23

Polar Surface Area

43.580

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

L123-0794 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L123-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L123-0794?
Check Price and Availability of L123-0794, 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 L123-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L123-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L123-0794
  • 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 L123-0794 available by request