3814-0531 Screening compound: propyl 4-(5-{[4-(propoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate

3814-0531 Screening compound: propyl 4-(5-{[4-(propoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate
3814-0531 Screening compound: propyl 4-(5-{[4-(propoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0531
propyl 4-(5-{[4-(propoxycarbonyl)phenyl]carbamoyl}pentanamido)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

3814-0531

Molecular Formula

C26H32N2O6 (C26 H32 N2 O6)

Compound Name

propyl 4-(5-{[4-(propoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate

IUPAC name

propyl 4-(5-{[4-(propoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate

SMILES

CCCOC(c(cc1)ccc1NC(CCCCC(Nc(cc1)ccc1C(OCCC)=O)=O)=O)=O

InChI

InChI=1S/C26H32N2O6/c1-3-17-33-25(31)19-9-13-21(14-10-19)27-23(29)7-5-6-8-24(30)28-22-15-11-20(12-16-22)26(32)34-18-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

RNMIKROCEYMENK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01055774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.54

Polar Surface Area

88.361

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

3814-0531 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 3814-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0531?
Check Price and Availability of 3814-0531, 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 3814-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0531
  • 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 3814-0531 available by request