V016-8869 Screening compound: N,N-dimethyl-4-{2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}aniline

V016-8869 Screening compound: N,N-dimethyl-4-{2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}aniline
V016-8869 Screening compound: N,N-dimethyl-4-{2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8869
N,N-dimethyl-4-{2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}aniline

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

V016-8869

Molecular Formula

C24H23N3O2S (C24 H23 N3 O2 S)

Compound Name

N,N-dimethyl-4-{2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}aniline

IUPAC name

NN-dimethyl-4-{2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-13-benzoxazol-5-yl}aniline

SMILES

CN(C)c(cc1)ccc1-c(cc1)cc2c1oc(C(CCC1)N1C(c1cccs1)=O)n2

InChI

InChI=1S/C24H23N3O2S/c1-26(2)18-10-7-16(8-11-18)17-9-12-21-19(15-17)25-23(29-21)20-5-3-13-27(20)24(28)22-6-4-14-30-22/h4,6-12,14-15,20H,3,5,13H2,1-2H3/t20-/m0/s1

InChI Key

YVCRJINMWXJTBF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19969612

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.16

Polar Surface Area

37.308

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V016-8869 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V016-8869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8869?
Check Price and Availability of V016-8869, 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 V016-8869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8869
  • 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 V016-8869 available by request