D586-0189 Screening compound: methyl 3-{3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamido}benzoate

D586-0189 Screening compound: methyl 3-{3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamido}benzoate
D586-0189 Screening compound: methyl 3-{3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D586-0189
methyl 3-{3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamido}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

D586-0189

Molecular Formula

C23H23NO4 (C23 H23 NO4)

Compound Name

methyl 3-{3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamido}benzoate

IUPAC name

methyl 3-{3-[5-(34-dimethylphenyl)furan-2-yl]propanamido}benzoate

SMILES

Cc(cc1)c(C)cc1-c1ccc(CCC(Nc2cccc(C(OC)=O)c2)=O)o1

InChI

InChI=1S/C23H23NO4/c1-15-7-8-17(13-16(15)2)21-11-9-20(28-21)10-12-22(25)24-19-6-4-5-18(14-19)23(26)27-3/h4-9,11,13-14H,10,12H2,1-3H3,(H,24,25)

InChI Key

PSZMDYZSXJNSPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

5.509

Water Solubility, LogSw

-5.46

Polar Surface Area

51.860

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D586-0189 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D586-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D586-0189?
Check Price and Availability of D586-0189, 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 D586-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D586-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D586-0189
  • 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 D586-0189 available by request