5967-0774 Screening compound: 4-{2-[(2-{2-[(furan-2-yl)formamido]acetamido}acetyl)oxy]acetyl}phenyl 4-methylbenzoate

5967-0774 Screening compound: 4-{2-[(2-{2-[(furan-2-yl)formamido]acetamido}acetyl)oxy]acetyl}phenyl 4-methylbenzoate
5967-0774 Screening compound: 4-{2-[(2-{2-[(furan-2-yl)formamido]acetamido}acetyl)oxy]acetyl}phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5967-0774
4-{2-[(2-{2-[(furan-2-yl)formamido]acetamido}acetyl)oxy]acetyl}phenyl 4-methylbenzoate

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

5967-0774

Molecular Formula

C25H22N2O8 (C25 H22 N2 O8)

Compound Name

4-{2-[(2-{2-[(furan-2-yl)formamido]acetamido}acetyl)oxy]acetyl}phenyl 4-methylbenzoate

IUPAC name

4-{2-[(2-{2-[(furan-2-yl)formamido]acetamido}acetyl)oxy]acetyl}phenyl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(Oc(cc1)ccc1C(COC(CNC(CNC(c1ccco1)=O)=O)=O)=O)=O

InChI

InChI=1S/C25H22N2O8/c1-16-4-6-18(7-5-16)25(32)35-19-10-8-17(9-11-19)20(28)15-34-23(30)14-26-22(29)13-27-24(31)21-3-2-12-33-21/h2-12H,13-15H2,1H3,(H,26,29)(H,27,31)

InChI Key

ZIDMZZOMWOLTJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03642724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-2.93

Polar Surface Area

111.861

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

5967-0774 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 5967-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5967-0774?
Check Price and Availability of 5967-0774, 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 5967-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5967-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5967-0774
  • 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 5967-0774 available by request