V006-3296 Screening compound: 5-(3-methylphenyl)-2-[1-(4-pentylbenzoyl)pyrrolidin-2-yl]-1,3-benzoxazole

V006-3296 Screening compound: 5-(3-methylphenyl)-2-[1-(4-pentylbenzoyl)pyrrolidin-2-yl]-1,3-benzoxazole
V006-3296 Screening compound: 5-(3-methylphenyl)-2-[1-(4-pentylbenzoyl)pyrrolidin-2-yl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3296
5-(3-methylphenyl)-2-[1-(4-pentylbenzoyl)pyrrolidin-2-yl]-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

V006-3296

Molecular Formula

C30H32N2O2 (C30 H32 N2 O2)

Compound Name

5-(3-methylphenyl)-2-[1-(4-pentylbenzoyl)pyrrolidin-2-yl]-1,3-benzoxazole

IUPAC name

5-(3-methylphenyl)-2-[1-(4-pentylbenzoyl)pyrrolidin-2-yl]-13-benzoxazole

SMILES

CCCCCc(cc1)ccc1C(N(CCC1)C1c1nc(cc(cc2)-c3cc(C)ccc3)c2o1)=O

InChI

InChI=1S/C30H32N2O2/c1-3-4-5-9-22-12-14-23(15-13-22)30(33)32-18-7-11-27(32)29-31-26-20-25(16-17-28(26)34-29)24-10-6-8-21(2)19-24/h6,8,10,12-17,19-20,27H,3-5,7,9,11,18H2,1-2H3/t27-/m0/s1

InChI Key

PXHQBTWENLELJF-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19969415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.072

Distribution Coefficient, logD

8.072

Water Solubility, LogSw

-5.45

Polar Surface Area

33.485

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V006-3296 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V006-3296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3296?
Check Price and Availability of V006-3296, 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 V006-3296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3296
  • 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 V006-3296 available by request