V003-4018 Screening compound: 1-[3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one

V003-4018 Screening compound: 1-[3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
V003-4018 Screening compound: 1-[3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4018
1-[3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one

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

V003-4018

Molecular Formula

C23H34N2O4 (C23 H34 N2 O4)

Compound Name

1-[3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one

IUPAC name

1-[3-(25-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-33-dimethylbutan-1-one

SMILES

CC(C)(C)CC(N(CC1C(N2CCCC2)=O)CC1c(cc(cc1)OC)c1OC)=O

InChI

InChI=1S/C23H34N2O4/c1-23(2,3)13-21(26)25-14-18(17-12-16(28-4)8-9-20(17)29-5)19(15-25)22(27)24-10-6-7-11-24/h8-9,12,18-19H,6-7,10-11,13-15H2,1-5H3

InChI Key

SUHVOXBBBNZDJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-4.12

Polar Surface Area

48.781

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.20

V003-4018 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-4018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4018?
Check Price and Availability of V003-4018, 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 V003-4018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4018
  • 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 V003-4018 available by request