V001-1791 Screening compound: 4-{2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline

V001-1791 Screening compound: 4-{2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline
V001-1791 Screening compound: 4-{2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1791
4-{2-[1-(4-bromobenzoyl)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

V001-1791

Molecular Formula

C26H24BrN3O2 (C26 H24 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c(cc1)ccc1-c(cc1)cc2c1oc(C(CCC1)N1C(c(cc1)ccc1Br)=O)n2

InChI

InChI=1S/C26H24BrN3O2/c1-29(2)21-12-7-17(8-13-21)19-9-14-24-22(16-19)28-25(32-24)23-4-3-15-30(23)26(31)18-5-10-20(27)11-6-18/h5-14,16,23H,3-4,15H2,1-2H3/t23-/m0/s1

InChI Key

ZMZCTIAPYVCEHP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19969623

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.4

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

6.159

Distribution Coefficient, logD

6.158

Water Solubility, LogSw

-5.52

Polar Surface Area

36.290

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V001-1791 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 V001-1791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1791?
Check Price and Availability of V001-1791, 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 V001-1791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1791
  • 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 V001-1791 available by request