8003-0672 Screening compound: ethyl 4-[({[6-({[4-(ethoxycarbonyl)anilino]carbonyl}amino)hexyl]amino}carbonyl)amino]benzoate

8003-0672 Screening compound: ethyl 4-[({[6-({[4-(ethoxycarbonyl)anilino]carbonyl}amino)hexyl]amino}carbonyl)amino]benzoate
8003-0672 Screening compound: ethyl 4-[({[6-({[4-(ethoxycarbonyl)anilino]carbonyl}amino)hexyl]amino}carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0672
ethyl 4-[({[6-({[4-(ethoxycarbonyl)anilino]carbonyl}amino)hexyl]amino}carbonyl)amino]benzoate

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

8003-0672

Molecular Formula

C26H34N4O6 (C26 H34 N4 O6)

Compound Name

ethyl 4-[({[6-({[4-(ethoxycarbonyl)anilino]carbonyl}amino)hexyl]amino}carbonyl)amino]benzoate

IUPAC name

ethyl 4-({[6-({[4-(ethoxycarbonyl)phenyl]carbamoyl}amino)hexyl]carbamoyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(NCCCCCCNC(Nc(cc1)ccc1C(OCC)=O)=O)=O)=O

InChI

InChI=1S/C26H34N4O6/c1-3-35-23(31)19-9-13-21(14-10-19)29-25(33)27-17-7-5-6-8-18-28-26(34)30-22-15-11-20(12-16-22)24(32)36-4-2/h9-16H,3-8,17-18H2,1-2H3,(H2,27,29,33)(H2,28,30,34)

InChI Key

DUCOSDNEMMPOSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00158226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.068

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-4.45

Polar Surface Area

108.951

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

8003-0672 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 8003-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0672?
Check Price and Availability of 8003-0672, 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 8003-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0672
  • 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 8003-0672 available by request