8003-0631 Screening compound: N'-[3-({[4-(octyloxy)anilino]carbonyl}amino)phenyl]-N-[4-(octyloxy)phenyl]urea

8003-0631 Screening compound: N'-[3-({[4-(octyloxy)anilino]carbonyl}amino)phenyl]-N-[4-(octyloxy)phenyl]urea
8003-0631 Screening compound: N'-[3-({[4-(octyloxy)anilino]carbonyl}amino)phenyl]-N-[4-(octyloxy)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0631
N'-[3-({[4-(octyloxy)anilino]carbonyl}amino)phenyl]-N-[4-(octyloxy)phenyl]urea

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

8003-0631

Molecular Formula

C36H50N4O4 (C36 H50 N4 O4)

Compound Name

N'-[3-({[4-(octyloxy)anilino]carbonyl}amino)phenyl]-N-[4-(octyloxy)phenyl]urea

IUPAC name

1-[4-(octyloxy)phenyl]-3-[3-({[4-(octyloxy)phenyl]carbamoyl}amino)phenyl]urea

SMILES

CCCCCCCCOc(cc1)ccc1NC(Nc1cccc(NC(Nc(cc2)ccc2OCCCCCCCC)=O)c1)=O

InChI

InChI=1S/C36H50N4O4/c1-3-5-7-9-11-13-26-43-33-22-18-29(19-23-33)37-35(41)39-31-16-15-17-32(28-31)40-36(42)38-30-20-24-34(25-21-30)44-27-14-12-10-8-6-4-2/h15-25,28H,3-14,26-27H2,1-2H3,(H2,37,39,41)(H2,38,40,42)

InChI Key

XNVURMAFPYNKAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00314175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

24.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

12.097

Distribution Coefficient, logD

12.097

Water Solubility, LogSw

-5.69

Polar Surface Area

79.680

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

8003-0631 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 8003-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0631?
Check Price and Availability of 8003-0631, 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 8003-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0631
  • 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 8003-0631 available by request