V016-8893 Screening compound: 4-{2-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline

V016-8893 Screening compound: 4-{2-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline
V016-8893 Screening compound: 4-{2-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8893
4-{2-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline

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

V016-8893

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

4-{2-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline

IUPAC name

4-{2-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-13-benzoxazol-5-yl}-NN-dimethylaniline

SMILES

CN(C)c(cc1)ccc1-c(cc1)cc2c1oc(C(CCC1)N1C(c1cc(OC)ccc1)=O)n2

InChI

InChI=1S/C27H27N3O3/c1-29(2)21-12-9-18(10-13-21)19-11-14-25-23(17-19)28-26(33-25)24-8-5-15-30(24)27(31)20-6-4-7-22(16-20)32-3/h4,6-7,9-14,16-17,24H,5,8,15H2,1-3H3

InChI Key

MTTHABAOIBLOQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19969625

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

5.303

Water Solubility, LogSw

-5.35

Polar Surface Area

43.834

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V016-8893 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 V016-8893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8893?
Check Price and Availability of V016-8893, 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 V016-8893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8893
  • 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 V016-8893 available by request