4119-0012 Screening compound: N~1~-{5-[2-(diethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide

4119-0012 Screening compound: N~1~-{5-[2-(diethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide
4119-0012 Screening compound: N~1~-{5-[2-(diethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4119-0012
N~1~-{5-[2-(diethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide

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

4119-0012

Molecular Formula

C28H39N3O2 (C28 H39 N3 O2)

Compound Name

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

IUPAC name

N-{2-[2-(diethylamino)acetyl]-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-5-yl}-2-propylpentanamide

SMILES

CCCC(CCC)C(Nc1cc(N(C(CN(CC)CC)=O)c2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C28H39N3O2/c1-5-11-23(12-6-2)28(33)29-24-18-17-22-16-15-21-13-9-10-14-25(21)31(26(22)19-24)27(32)20-30(7-3)8-4/h9-10,13-14,17-19,23H,5-8,11-12,15-16,20H2,1-4H3,(H,29,33)

InChI Key

HLVWVJMDWSKULG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02050977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.251

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-5.40

Polar Surface Area

40.740

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4119-0012 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4119-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4119-0012?
Check Price and Availability of 4119-0012, 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 4119-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4119-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4119-0012
  • 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 4119-0012 available by request