V008-7421 Screening compound: 1-[(2-chlorophenyl)methyl]-4-{4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-amido}-1H-indol-5-yl N,N-diethylcarbamate

V008-7421 Screening compound: 1-[(2-chlorophenyl)methyl]-4-{4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-amido}-1H-indol-5-yl N,N-diethylcarbamate
V008-7421 Screening compound: 1-[(2-chlorophenyl)methyl]-4-{4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-amido}-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7421
1-[(2-chlorophenyl)methyl]-4-{4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-amido}-1H-indol-5-yl N,N-diethylcarbamate

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

V008-7421

Molecular Formula

C30H34ClN3O5 (C30 H34 ClN3 O5)

Compound Name

1-[(2-chlorophenyl)methyl]-4-{4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-amido}-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(2-chlorophenyl)methyl]-4-[(4R)-477-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-amido]-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cccc1)c1Cl)c2NC(C1(C(C)(C)[C@@]2(C)CC1)OC2=O)=O)=O

InChI

InChI=1S/C30H34ClN3O5/c1-6-33(7-2)27(37)38-23-13-12-22-20(14-17-34(22)18-19-10-8-9-11-21(19)31)24(23)32-25(35)30-16-15-29(5,26(36)39-30)28(30,3)4/h8-14,17H,6-7,15-16,18H2,1-5H3,(H,32,35)/t29-,30?/m0/s1

InChI Key

PWPZLLGJDYBUSX-UFXYQILXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.07

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

5.263

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.69

Polar Surface Area

67.142

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.30

V008-7421 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V008-7421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7421?
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What is the minimum amount of V008-7421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7421
  • 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 V008-7421 available by request