8014-1899 Screening compound: N~1~-allyl-N~2~-{4-[2-(allylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl}phthalamide

8014-1899 Screening compound: N~1~-allyl-N~2~-{4-[2-(allylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl}phthalamide
8014-1899 Screening compound: N~1~-allyl-N~2~-{4-[2-(allylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl}phthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1899
N~1~-allyl-N~2~-{4-[2-(allylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl}phthalamide

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

8014-1899

Molecular Formula

C26H33N3O4 (C26 H33 N3 O4)

Compound Name

N~1~-allyl-N~2~-{4-[2-(allylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl}phthalamide

IUPAC name

N1-(4-{44-dimethyl-6-oxo-2-[(prop-2-en-1-yl)amino]cyclohex-1-en-1-yl}-4-oxobutyl)-N2-(prop-2-en-1-yl)benzene-12-dicarboxamide

SMILES

CC(C)(C1)CC(NCC=C)=C(C(CCCNC(c(cccc2)c2C(NCC=C)=O)=O)=O)C1=O

InChI

InChI=1S/C26H33N3O4/c1-5-13-27-20-16-26(3,4)17-22(31)23(20)21(30)12-9-15-29-25(33)19-11-8-7-10-18(19)24(32)28-14-6-2/h5-8,10-11,27H,1-2,9,12-17H2,3-4H3,(H,28,32)(H,29,33)

InChI Key

MIAAZRJBYITALJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

1.864

Water Solubility, LogSw

-2.81

Polar Surface Area

85.863

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

8014-1899 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8014-1899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1899?
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What is the minimum amount of 8014-1899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1899
  • 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 8014-1899 available by request