V028-8753 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(butan-2-yl)-1,3-oxazole-4-carboxamide

V028-8753 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(butan-2-yl)-1,3-oxazole-4-carboxamide
V028-8753 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(butan-2-yl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8753
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(butan-2-yl)-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

V028-8753

Molecular Formula

C24H26FN3O4 (C24 H26 FN3 O4)

Compound Name

2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(butan-2-yl)-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(2H-13-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(butan-2-yl)-13-oxazole-4-carboxamide

SMILES

CCC(C)NC(c1coc(CN(Cc(cc2)cc3c2OCO3)Cc(cccc2)c2F)n1)=O

InChI

InChI=1S/C24H26FN3O4/c1-3-16(2)26-24(29)20-14-30-23(27-20)13-28(12-18-6-4-5-7-19(18)25)11-17-8-9-21-22(10-17)32-15-31-21/h4-10,14,16H,3,11-13,15H2,1-2H3,(H,26,29)/t16-/m0/s1

InChI Key

CIDXGBPRCPOXAL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19830321

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-3.87

Polar Surface Area

63.326

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V028-8753 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V028-8753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8753?
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What is the minimum amount of V028-8753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8753
  • 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 V028-8753 available by request