V006-9413 Screening compound: 2-({[(2,4-dichlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

V006-9413 Screening compound: 2-({[(2,4-dichlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide
V006-9413 Screening compound: 2-({[(2,4-dichlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9413
2-({[(2,4-dichlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-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

V006-9413

Molecular Formula

C25H21Cl2FN4O2 (C25 H21 Cl2 FN4 O2)

Compound Name

2-({[(2,4-dichlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(24-dichlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-13-oxazole-4-carboxamide

SMILES

O=C(c1coc(CN(Cc(cc2)ccc2F)Cc(ccc(Cl)c2)c2Cl)n1)NCc1cnccc1

InChI

InChI=1S/C25H21Cl2FN4O2/c26-20-6-5-19(22(27)10-20)14-32(13-17-3-7-21(28)8-4-17)15-24-31-23(16-34-24)25(33)30-12-18-2-1-9-29-11-18/h1-11,16H,12-15H2,(H,30,33)

InChI Key

VGHGKFVTBSCIJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830703

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.44

Polar Surface Area

56.016

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V006-9413 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 V006-9413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9413?
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What is the minimum amount of V006-9413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9413
  • 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 V006-9413 available by request