8013-2470 Screening compound: 4-fluoro-N-[(3-{[(4-fluorophenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide

8013-2470 Screening compound: 4-fluoro-N-[(3-{[(4-fluorophenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide
8013-2470 Screening compound: 4-fluoro-N-[(3-{[(4-fluorophenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2470
4-fluoro-N-[(3-{[(4-fluorophenyl)formamido]methyl}adamantan-1-yl)methyl]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

8013-2470

Molecular Formula

C26H28F2N2O2 (C26 H28 F2 N2 O2)

Compound Name

4-fluoro-N-[(3-{[(4-fluorophenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide

IUPAC name

4-fluoro-N-[(3-{[(4-fluorophenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide

SMILES

O=C(c(cc1)ccc1F)NCC1(CC(C2)C3)CC3(CNC(c(cc3)ccc3F)=O)CC2C1

InChI

InChI=1S/C26H28F2N2O2/c27-21-5-1-19(2-6-21)23(31)29-15-25-10-17-9-18(11-25)13-26(12-17,14-25)16-30-24(32)20-3-7-22(28)8-4-20/h1-8,17-18H,9-16H2,(H,29,31)(H,30,32)

InChI Key

KMGIWGQYEGNKHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02991821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.361

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.83

Polar Surface Area

49.098

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8013-2470 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-2470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2470?
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What is the minimum amount of 8013-2470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2470
  • 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 8013-2470 available by request