V001-1087 Screening compound: 4-{2-[1-(2-bromobenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline

V001-1087 Screening compound: 4-{2-[1-(2-bromobenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline
V001-1087 Screening compound: 4-{2-[1-(2-bromobenzoyl)pyrrolidin-2-yl]-1,3-benzoxazol-5-yl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1087
4-{2-[1-(2-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

V001-1087

Molecular Formula

C26H24BrN3O2 (C26 H24 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c(cc1)ccc1-c(cc1)cc2c1oc(C(CCC1)N1C(c(cccc1)c1Br)=O)n2

InChI

InChI=1S/C26H24BrN3O2/c1-29(2)19-12-9-17(10-13-19)18-11-14-24-22(16-18)28-25(32-24)23-8-5-15-30(23)26(31)20-6-3-4-7-21(20)27/h3-4,6-7,9-14,16,23H,5,8,15H2,1-2H3/t23-/m0/s1

InChI Key

KATPGBSQKRAOLS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19969631

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

5.706

Distribution Coefficient, logD

5.706

Water Solubility, LogSw

-5.45

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

V001-1087 in Drug Discovery

Included in Screening Libraries

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 V001-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1087?
Check Price and Availability of V001-1087, 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 V001-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1087
  • 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 V001-1087 available by request