V006-3276 Screening compound: benzyl[(4-tert-butylphenyl)methyl]{[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}amine

V006-3276 Screening compound: benzyl[(4-tert-butylphenyl)methyl]{[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}amine
V006-3276 Screening compound: benzyl[(4-tert-butylphenyl)methyl]{[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3276
benzyl[(4-tert-butylphenyl)methyl]{[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}amine

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

V006-3276

Molecular Formula

C27H33N3O2 (C27 H33 N3 O2)

Compound Name

benzyl[(4-tert-butylphenyl)methyl]{[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}amine

IUPAC name

benzyl[(4-tert-butylphenyl)methyl]{[4-(pyrrolidine-1-carbonyl)-13-oxazol-2-yl]methyl}amine

SMILES

CC(C)(C)c1ccc(CN(Cc2nc(C(N3CCCC3)=O)co2)Cc2ccccc2)cc1

InChI

InChI=1S/C27H33N3O2/c1-27(2,3)23-13-11-22(12-14-23)18-29(17-21-9-5-4-6-10-21)19-25-28-24(20-32-25)26(31)30-15-7-8-16-30/h4-6,9-14,20H,7-8,15-19H2,1-3H3

InChI Key

CXHJJNPEWDHBTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19833213

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.326

Distribution Coefficient, logD

5.326

Water Solubility, LogSw

-5.19

Polar Surface Area

39.099

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V006-3276 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with V006-3276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3276?
Check Price and Availability of V006-3276, 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 V006-3276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3276
  • 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 V006-3276 available by request