V031-2427 Screening compound: ethyl 2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}-2-(3-methoxyphenyl)acetate

V031-2427 Screening compound: ethyl 2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}-2-(3-methoxyphenyl)acetate
V031-2427 Screening compound: ethyl 2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}-2-(3-methoxyphenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2427
ethyl 2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}-2-(3-methoxyphenyl)acetate

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

V031-2427

Molecular Formula

C30H39NO5 (C30 H39 NO5)

Compound Name

ethyl 2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}-2-(3-methoxyphenyl)acetate

IUPAC name

ethyl 2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}-2-(3-methoxyphenyl)acetate

SMILES

CCCCCCCOc(cc1)ccc1C(NC(C1)C=CC1C(C(OCC)=O)c1cc(OC)ccc1)=O

InChI

InChI=1S/C30H39NO5/c1-4-6-7-8-9-19-36-26-17-14-22(15-18-26)29(32)31-25-16-13-24(20-25)28(30(33)35-5-2)23-11-10-12-27(21-23)34-3/h10-18,21,24-25,28H,4-9,19-20H2,1-3H3,(H,31,32)

InChI Key

UUVVLUZZEZAPOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.174

Distribution Coefficient, logD

7.174

Water Solubility, LogSw

-5.66

Polar Surface Area

60.187

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

46.70

V031-2427 in Drug Discovery

Included in Screening Libraries

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:
  • 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 V031-2427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2427?
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What is the minimum amount of V031-2427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2427
  • 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 V031-2427 available by request