8015-4401 Screening compound: 1-[3-(5-{2-[4-(hexyloxy)anilino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl)propyl]-4-piperidinecarboxamide

8015-4401 Screening compound: 1-[3-(5-{2-[4-(hexyloxy)anilino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl)propyl]-4-piperidinecarboxamide
8015-4401 Screening compound: 1-[3-(5-{2-[4-(hexyloxy)anilino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl)propyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4401
1-[3-(5-{2-[4-(hexyloxy)anilino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl)propyl]-4-piperidinecarboxamide

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

8015-4401

Molecular Formula

C32H43N5O4S (C32 H43 N5 O4 S)

Compound Name

1-[3-(5-{2-[4-(hexyloxy)anilino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl)propyl]-4-piperidinecarboxamide

IUPAC name

1-{3-[5-({[4-(hexyloxy)phenyl]carbamoyl}methyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]propyl}piperidine-4-carboxamide

SMILES

CCCCCCOc(cc1)ccc1NC(CC(C(N1c2ccccc2)=O)N(CCCN(CC2)CCC2C(N)=O)C1=S)=O

InChI

InChI=1S/C32H43N5O4S/c1-2-3-4-8-22-41-27-14-12-25(13-15-27)34-29(38)23-28-31(40)37(26-10-6-5-7-11-26)32(42)36(28)19-9-18-35-20-16-24(17-21-35)30(33)39/h5-7,10-15,24,28H,2-4,8-9,16-23H2,1H3,(H2,33,39)(H,34,38)/t28-/m1/s1

InChI Key

BNNMNVQRFLHYDE-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03916483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.79

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

1.030

Water Solubility, LogSw

-3.88

Polar Surface Area

86.835

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8015-4401 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-4401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4401?
Check Price and Availability of 8015-4401, 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 8015-4401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4401
  • 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 8015-4401 available by request