2856-0004 Screening compound: N~1~-{5-[3-(diethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-methylpropanamide

2856-0004 Screening compound: N~1~-{5-[3-(diethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-methylpropanamide
2856-0004 Screening compound: N~1~-{5-[3-(diethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2856-0004
N~1~-{5-[3-(diethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-methylpropanamide

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

2856-0004

Molecular Formula

C25H33N3O2 (C25 H33 N3 O2)

Compound Name

N~1~-{5-[3-(diethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-methylpropanamide

IUPAC name

N-{2-[3-(diethylamino)propanoyl]-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-2-methylpropanamide

SMILES

CCN(CC)CCC(N(c1c(CC2)cccc1)c1c2ccc(NC(C(C)C)=O)c1)=O

InChI

InChI=1S/C25H33N3O2/c1-5-27(6-2)16-15-24(29)28-22-10-8-7-9-19(22)11-12-20-13-14-21(17-23(20)28)26-25(30)18(3)4/h7-10,13-14,17-18H,5-6,11-12,15-16H2,1-4H3,(H,26,30)

InChI Key

RNSURYWNYYLITI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085019

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.141

Water Solubility, LogSw

-4.20

Polar Surface Area

40.719

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

2856-0004 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 2856-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2856-0004?
Check Price and Availability of 2856-0004, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2856-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2856-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2856-0004
  • 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 2856-0004 available by request