V017-4189 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole

V017-4189 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
V017-4189 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4189
2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole

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

V017-4189

Molecular Formula

C26H24N2O4 (C26 H24 N2 O4)

Compound Name

2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole

IUPAC name

2-[1-(35-dimethoxybenzoyl)pyrrolidin-2-yl]-5-phenyl-13-benzoxazole

SMILES

COc1cc(C(N(CCC2)C2c2nc(cc(cc3)-c4ccccc4)c3o2)=O)cc(OC)c1

InChI

InChI=1S/C26H24N2O4/c1-30-20-13-19(14-21(16-20)31-2)26(29)28-12-6-9-23(28)25-27-22-15-18(10-11-24(22)32-25)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-16,23H,6,9,12H2,1-2H3/t23-/m0/s1

InChI Key

IGLQCUHXYBIADP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19969341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.329

Distribution Coefficient, logD

5.329

Water Solubility, LogSw

-5.41

Polar Surface Area

48.573

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V017-4189 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V017-4189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4189?
Check Price and Availability of V017-4189, 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 V017-4189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4189
  • 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 V017-4189 available by request