L123-1047 Screening compound: 4-[2-(2,5-dimethoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide

L123-1047 Screening compound: 4-[2-(2,5-dimethoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide
L123-1047 Screening compound: 4-[2-(2,5-dimethoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L123-1047
4-[2-(2,5-dimethoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide

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

L123-1047

Molecular Formula

C27H32N2O3 (C27 H32 N2 O3)

Compound Name

4-[2-(2,5-dimethoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide

IUPAC name

4-[2-(25-dimethoxyphenyl)-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c(cc1)ccc1-n1c(-c(cc(cc2)OC)c2OC)cc2c1CCCCC2)=O

InChI

InChI=1S/C27H32N2O3/c1-18(2)28-27(30)19-10-12-21(13-11-19)29-24-9-7-5-6-8-20(24)16-25(29)23-17-22(31-3)14-15-26(23)32-4/h10-18H,5-9H2,1-4H3,(H,28,30)

InChI Key

KASDMDRTEBQTHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

5.434

Water Solubility, LogSw

-5.26

Polar Surface Area

40.731

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

L123-1047 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 L123-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L123-1047?
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What is the minimum amount of L123-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L123-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L123-1047
  • 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 L123-1047 available by request