8014-9891 Screening compound: N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylamine

8014-9891 Screening compound: N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylamine
8014-9891 Screening compound: N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9891
N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-methoxyphenyl)-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

8014-9891

Molecular Formula

C28H29N3OS (C28 H29 N3 OS)

Compound Name

N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-[4-(4-methoxyphenyl)-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-methoxyphenyl)-N-methyl-13-thiazol-2-amine

SMILES

CN(CCCN(c1c(CC2)cccc1)c1c2cccc1)c1nc(-c(cc2)ccc2OC)cs1

InChI

InChI=1S/C28H29N3OS/c1-30(28-29-25(20-33-28)21-14-16-24(32-2)17-15-21)18-7-19-31-26-10-5-3-8-22(26)12-13-23-9-4-6-11-27(23)31/h3-6,8-11,14-17,20H,7,12-13,18-19H2,1-2H3

InChI Key

XZYQDASUXZXNAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.133

Distribution Coefficient, logD

8.133

Water Solubility, LogSw

-5.88

Polar Surface Area

21.892

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8014-9891 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-9891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9891?
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What is the minimum amount of 8014-9891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9891
  • 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 8014-9891 available by request