V006-3333 Screening compound: N-(adamantan-1-yl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

V006-3333 Screening compound: N-(adamantan-1-yl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
V006-3333 Screening compound: N-(adamantan-1-yl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3333
N-(adamantan-1-yl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

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

V006-3333

Molecular Formula

C28H30FN3O2 (C28 H30 FN3 O2)

Compound Name

N-(adamantan-1-yl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

IUPAC name

N-(adamantan-1-yl)-2-[5-(2-fluorophenyl)-13-benzoxazol-2-yl]pyrrolidine-1-carboxamide

SMILES

O=C(NC1(CC(C2)C3)CC3CC2C1)N(CCC1)C1c1nc(cc(cc2)-c(cccc3)c3F)c2o1

InChI

InChI=1S/C28H30FN3O2/c29-22-5-2-1-4-21(22)20-7-8-25-23(13-20)30-26(34-25)24-6-3-9-32(24)27(33)31-28-14-17-10-18(15-28)12-19(11-17)16-28/h1-2,4-5,7-8,13,17-19,24H,3,6,9-12,14-16H2,(H,31,33)/t17?,18?,19?,24-,28?/m0/s1

InChI Key

FTJHVTKWDHCXGE-GETQMSEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.226

Distribution Coefficient, logD

6.226

Water Solubility, LogSw

-6.01

Polar Surface Area

43.324

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V006-3333 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V006-3333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3333?
Check Price and Availability of V006-3333, 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 V006-3333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3333
  • 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 V006-3333 available by request