V029-3761 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide

V029-3761 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide
V029-3761 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3761
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-N-[(furan-2-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

V029-3761

Molecular Formula

C27H27N3O5 (C27 H27 N3 O5)

Compound Name

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

IUPAC name

2-({[(2H-13-benzodioxol-5-yl)methyl][(25-dimethylphenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-13-oxazole-4-carboxamide

SMILES

Cc1cc(CN(Cc2nc(C(NCc3ccco3)=O)co2)Cc(cc2)cc3c2OCO3)c(C)cc1

InChI

InChI=1S/C27H27N3O5/c1-18-5-6-19(2)21(10-18)14-30(13-20-7-8-24-25(11-20)35-17-34-24)15-26-29-23(16-33-26)27(31)28-12-22-4-3-9-32-22/h3-11,16H,12-15,17H2,1-2H3,(H,28,31)

InChI Key

KXDXWCBKBJNOSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830223

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-4.95

Polar Surface Area

71.362

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V029-3761 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V029-3761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3761?
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What is the minimum amount of V029-3761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3761
  • 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 V029-3761 available by request