V003-2945 Screening compound: N-benzyl-1-(3-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-methylpyrrolidine-3-carboxamide

V003-2945 Screening compound: N-benzyl-1-(3-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-methylpyrrolidine-3-carboxamide
V003-2945 Screening compound: N-benzyl-1-(3-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-methylpyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2945
N-benzyl-1-(3-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-methylpyrrolidine-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

V003-2945

Molecular Formula

C28H29ClN2O4 (C28 H29 ClN2 O4)

Compound Name

N-benzyl-1-(3-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-methylpyrrolidine-3-carboxamide

IUPAC name

N-benzyl-1-(3-chlorobenzoyl)-4-(25-dimethoxyphenyl)-N-methylpyrrolidine-3-carboxamide

SMILES

CN(Cc1ccccc1)C(C(CN(C1)C(c2cccc(Cl)c2)=O)C1c(cc(cc1)OC)c1OC)=O

InChI

InChI=1S/C28H29ClN2O4/c1-30(16-19-8-5-4-6-9-19)28(33)25-18-31(27(32)20-10-7-11-21(29)14-20)17-24(25)23-15-22(34-2)12-13-26(23)35-3/h4-15,24-25H,16-18H2,1-3H3

InChI Key

VZZCNXCMFJXHCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.895

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-5.10

Polar Surface Area

48.173

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

V003-2945 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • 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 V003-2945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2945?
Check Price and Availability of V003-2945, 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 V003-2945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2945
  • 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 V003-2945 available by request