C800-0792 Screening compound: N-[(4-fluorophenyl)methyl]-4-(1H-indol-3-yl)cyclohex-3-ene-1-carboxamide

C800-0792 Screening compound: N-[(4-fluorophenyl)methyl]-4-(1H-indol-3-yl)cyclohex-3-ene-1-carboxamide
C800-0792 Screening compound: N-[(4-fluorophenyl)methyl]-4-(1H-indol-3-yl)cyclohex-3-ene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0792
N-[(4-fluorophenyl)methyl]-4-(1H-indol-3-yl)cyclohex-3-ene-1-carboxamide

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

C800-0792

Molecular Formula

C22H21FN2O (C22 H21 FN2 O)

Compound Name

N-[(4-fluorophenyl)methyl]-4-(1H-indol-3-yl)cyclohex-3-ene-1-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-(1H-indol-3-yl)cyclohex-3-ene-1-carboxamide

SMILES

O=C(C(CC1)CC=C1c1c[nH]c2c1cccc2)NCc(cc1)ccc1F

InChI

InChI=1S/C22H21FN2O/c23-18-11-5-15(6-12-18)13-25-22(26)17-9-7-16(8-10-17)20-14-24-21-4-2-1-3-19(20)21/h1-7,11-12,14,17,24H,8-10,13H2,(H,25,26)/t17-/m1/s1

InChI Key

DOBXJQDJTUPTEL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14799879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.46

Polar Surface Area

34.443

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C800-0792 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C800-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0792?
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What is the minimum amount of C800-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0792
  • 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 C800-0792 available by request