8001-4002 Screening compound: 4-(4-decanamidobenzamido)-N-ethyl-N-phenylbenzamide

8001-4002 Screening compound: 4-(4-decanamidobenzamido)-N-ethyl-N-phenylbenzamide
8001-4002 Screening compound: 4-(4-decanamidobenzamido)-N-ethyl-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-4002
4-(4-decanamidobenzamido)-N-ethyl-N-phenylbenzamide

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

8001-4002

Molecular Formula

C32H39N3O3 (C32 H39 N3 O3)

Compound Name

4-(4-decanamidobenzamido)-N-ethyl-N-phenylbenzamide

IUPAC name

4-(4-decanamidobenzamido)-N-ethyl-N-phenylbenzamide

SMILES

CCCCCCCCCC(Nc(cc1)ccc1C(Nc(cc1)ccc1C(N(CC)c1ccccc1)=O)=O)=O

InChI

InChI=1S/C32H39N3O3/c1-3-5-6-7-8-9-13-16-30(36)33-27-21-17-25(18-22-27)31(37)34-28-23-19-26(20-24-28)32(38)35(4-2)29-14-11-10-12-15-29/h10-12,14-15,17-24H,3-9,13,16H2,1-2H3,(H,33,36)(H,34,37)

InChI Key

PNVLOCZKBWCOPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.171

Distribution Coefficient, logD

7.155

Water Solubility, LogSw

-5.74

Polar Surface Area

61.826

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.40

8001-4002 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8001-4002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-4002?
Check Price and Availability of 8001-4002, 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 8001-4002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-4002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-4002
  • 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 8001-4002 available by request