L123-0626 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide

L123-0626 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide
L123-0626 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L123-0626
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-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

L123-0626

Molecular Formula

C29H30FN3O2 (C29 H30 FN3 O2)

Compound Name

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide

IUPAC name

N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]-4-[2-(4-fluorophenyl)-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl]benzamide

SMILES

Cc1noc(C)c1CCNC(c(cc1)ccc1-n1c(-c(cc2)ccc2F)cc2c1CCCCC2)=O

InChI

InChI=1S/C29H30FN3O2/c1-19-26(20(2)35-32-19)16-17-31-29(34)22-10-14-25(15-11-22)33-27-7-5-3-4-6-23(27)18-28(33)21-8-12-24(30)13-9-21/h8-15,18H,3-7,16-17H2,1-2H3,(H,31,34)

InChI Key

DUZUVQUOZRWFFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.57

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

5.770

Distribution Coefficient, logD

5.770

Water Solubility, LogSw

-5.26

Polar Surface Area

48.190

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with L123-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L123-0626?
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What is the minimum amount of L123-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L123-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L123-0626
  • 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 L123-0626 available by request