V003-4696 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carbonyl]morpholine

V003-4696 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carbonyl]morpholine
V003-4696 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4696
4-[1-(4-methoxybenzenesulfonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carbonyl]morpholine

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

V003-4696

Molecular Formula

C23H28N2O6S (C23 H28 N2 O6 S)

Compound Name

4-[1-(4-methoxybenzenesulfonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carbonyl]morpholine

IUPAC name

4-[1-(4-methoxybenzenesulfonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carbonyl]morpholine

SMILES

COc(cc1)ccc1S(N(CC1C(N2CCOCC2)=O)CC1c1cc(OC)ccc1)(=O)=O

InChI

InChI=1S/C23H28N2O6S/c1-29-18-6-8-20(9-7-18)32(27,28)25-15-21(17-4-3-5-19(14-17)30-2)22(16-25)23(26)24-10-12-31-13-11-24/h3-9,14,21-22H,10-13,15-16H2,1-2H3

InChI Key

NVGITDMMEJOTDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.94

Polar Surface Area

71.555

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

V003-4696 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-4696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4696?
Check Price and Availability of V003-4696, 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 V003-4696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4696
  • 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 V003-4696 available by request