V018-4691 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide

V018-4691 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
V018-4691 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4691
2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-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

V018-4691

Molecular Formula

C36H36FN3O2S (C36 H36 FN3 O2 S)

Compound Name

2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide

IUPAC name

2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-(4-phenylbutan-2-yl)-13-thiazole-4-carboxamide

SMILES

CC(CCc1ccccc1)NC(c1csc(CN(Cc(cc2)ccc2OCc2ccccc2)Cc(cc2)ccc2F)n1)=O

InChI

InChI=1S/C36H36FN3O2S/c1-27(12-13-28-8-4-2-5-9-28)38-36(41)34-26-43-35(39-34)24-40(22-29-14-18-32(37)19-15-29)23-30-16-20-33(21-17-30)42-25-31-10-6-3-7-11-31/h2-11,14-21,26-27H,12-13,22-25H2,1H3,(H,38,41)/t27-/m0/s1

InChI Key

WTHSFLQPOFAPCT-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19761586

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

593.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.228

Distribution Coefficient, logD

7.228

Water Solubility, LogSw

-5.71

Polar Surface Area

45.262

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V018-4691 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 V018-4691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4691?
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What is the minimum amount of V018-4691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4691
  • 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 V018-4691 available by request