V031-0875 Screening compound: 4-(3-METHOXYPHENYL)-1-(3-METHYLBUTANOYL)-N-[(PYRIDIN-2-YL)METHYL]PYRROLIDINE-3-CARBOXAMIDE

V031-0875 Screening compound: 4-(3-METHOXYPHENYL)-1-(3-METHYLBUTANOYL)-N-[(PYRIDIN-2-YL)METHYL]PYRROLIDINE-3-CARBOXAMIDE
V031-0875 Screening compound: 4-(3-METHOXYPHENYL)-1-(3-METHYLBUTANOYL)-N-[(PYRIDIN-2-YL)METHYL]PYRROLIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0875
4-(3-METHOXYPHENYL)-1-(3-METHYLBUTANOYL)-N-[(PYRIDIN-2-YL)METHYL]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

V031-0875

Molecular Formula

C23H29N3O3 (C23 H29 N3 O3)

Compound Name

4-(3-METHOXYPHENYL)-1-(3-METHYLBUTANOYL)-N-[(PYRIDIN-2-YL)METHYL]PYRROLIDINE-3-CARBOXAMIDE

IUPAC name

4-(3-methoxyphenyl)-1-(3-methylbutanoyl)-N-[(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

SMILES

CC(C)CC(N(CC1C(NCc2ncccc2)=O)CC1c1cc(OC)ccc1)=O

InChI

InChI=1S/C23H29N3O3/c1-16(2)11-22(27)26-14-20(17-7-6-9-19(12-17)29-3)21(15-26)23(28)25-13-18-8-4-5-10-24-18/h4-10,12,16,20-21H,11,13-15H2,1-3H3,(H,25,28)

InChI Key

BFXSHKIJGYRBKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-2.95

Polar Surface Area

58.092

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

V031-0875 in Drug Discovery

Included in Screening Libraries

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

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0875?
Check Price and Availability of V031-0875, 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 V031-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0875
  • 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 V031-0875 available by request