V003-5586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide

V003-5586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
V003-5586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5586
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide

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

V003-5586

Molecular Formula

C28H27ClN2O6 (C28 H27 ClN2 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(2-chlorobenzoyl)-4-(24-dimethoxyphenyl)pyrrolidine-3-carboxamide

SMILES

COc1cc(OC)c(C(CN(C2)C(c(cccc3)c3Cl)=O)C2C(NCc(cc2)cc3c2OCO3)=O)cc1

InChI

InChI=1S/C28H27ClN2O6/c1-34-18-8-9-19(25(12-18)35-2)21-14-31(28(33)20-5-3-4-6-23(20)29)15-22(21)27(32)30-13-17-7-10-24-26(11-17)37-16-36-24/h3-12,21-22H,13-16H2,1-2H3,(H,30,32)

InChI Key

HYOGNLKLUHWDHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-4.30

Polar Surface Area

73.551

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

V003-5586 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-5586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5586?
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What is the minimum amount of V003-5586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5586
  • 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 V003-5586 available by request