8014-9890 Screening compound: N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylamine

8014-9890 Screening compound: N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylamine
8014-9890 Screening compound: N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9890
N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylamine

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

8014-9890

Molecular Formula

C27H26FN3S (C27 H26 FN3 S)

Compound Name

N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylamine

IUPAC name

N-(3-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-2-yl}propyl)-4-(4-fluorophenyl)-N-methyl-13-thiazol-2-amine

SMILES

CN(CCCN(c1c(CC2)cccc1)c1c2cccc1)c1nc(-c(cc2)ccc2F)cs1

InChI

InChI=1S/C27H26FN3S/c1-30(27-29-24(19-32-27)20-13-15-23(28)16-14-20)17-6-18-31-25-9-4-2-7-21(25)11-12-22-8-3-5-10-26(22)31/h2-5,7-10,13-16,19H,6,11-12,17-18H2,1H3

InChI Key

WXVNNVNFUXARIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.180

Distribution Coefficient, logD

8.180

Water Solubility, LogSw

-5.97

Polar Surface Area

14.348

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8014-9890 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8014-9890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9890?
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What is the minimum amount of 8014-9890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9890
  • 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 8014-9890 available by request