V004-4309 Screening compound: [(2,4-difluorophenyl)methyl]({[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}){[3-(trifluoromethyl)phenyl]methyl}amine

V004-4309 Screening compound: [(2,4-difluorophenyl)methyl]({[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}){[3-(trifluoromethyl)phenyl]methyl}amine
V004-4309 Screening compound: [(2,4-difluorophenyl)methyl]({[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}){[3-(trifluoromethyl)phenyl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4309
[(2,4-difluorophenyl)methyl]({[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}){[3-(trifluoromethyl)phenyl]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

V004-4309

Molecular Formula

C24H22F5N3O2 (C24 H22 F5 N3 O2)

Compound Name

[(2,4-difluorophenyl)methyl]({[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}){[3-(trifluoromethyl)phenyl]methyl}amine

IUPAC name

[(24-difluorophenyl)methyl]({[4-(pyrrolidine-1-carbonyl)-13-oxazol-2-yl]methyl}){[3-(trifluoromethyl)phenyl]methyl}amine

SMILES

O=C(c1coc(CN(Cc2cc(C(F)(F)F)ccc2)Cc(ccc(F)c2)c2F)n1)N1CCCC1

InChI

InChI=1S/C24H22F5N3O2/c25-19-7-6-17(20(26)11-19)13-31(12-16-4-3-5-18(10-16)24(27,28)29)14-22-30-21(15-34-22)23(33)32-8-1-2-9-32/h3-7,10-11,15H,1-2,8-9,12-14H2

InChI Key

KYMMLYNMMAZTSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19833177

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.45

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

4.623

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.57

Polar Surface Area

39.099

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V004-4309 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V004-4309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4309?
Check Price and Availability of V004-4309, 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 V004-4309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4309
  • 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 V004-4309 available by request