V029-6576 Screening compound: 2-{4-[(2,5-dimethoxybenzyl)amino]phenyl}-1-(1-pyrrolidinyl)-1-ethanone

V029-6576 Screening compound: 2-{4-[(2,5-dimethoxybenzyl)amino]phenyl}-1-(1-pyrrolidinyl)-1-ethanone
V029-6576 Screening compound: 2-{4-[(2,5-dimethoxybenzyl)amino]phenyl}-1-(1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6576
2-{4-[(2,5-dimethoxybenzyl)amino]phenyl}-1-(1-pyrrolidinyl)-1-ethanone

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

V029-6576

Molecular Formula

C21H26N2O3 (C21 H26 N2 O3)

Compound Name

2-{4-[(2,5-dimethoxybenzyl)amino]phenyl}-1-(1-pyrrolidinyl)-1-ethanone

IUPAC name

2-(4-{[(25-dimethoxyphenyl)methyl]amino}phenyl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

COc(cc1)cc(CNc2ccc(CC(N3CCCC3)=O)cc2)c1OC

InChI

InChI=1S/C21H26N2O3/c1-25-19-9-10-20(26-2)17(14-19)15-22-18-7-5-16(6-8-18)13-21(24)23-11-3-4-12-23/h5-10,14,22H,3-4,11-13,15H2,1-2H3

InChI Key

FCUNEBAJDLJXAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902697

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.62

Polar Surface Area

42.134

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V029-6576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6576?
Check Price and Availability of V029-6576, 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 V029-6576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6576
  • 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 V029-6576 available by request