V006-8453 Screening compound: ethyl 4-{[8-(4-{[methyl(pentyl)amino]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

V006-8453 Screening compound: ethyl 4-{[8-(4-{[methyl(pentyl)amino]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
V006-8453 Screening compound: ethyl 4-{[8-(4-{[methyl(pentyl)amino]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8453
ethyl 4-{[8-(4-{[methyl(pentyl)amino]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

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

V006-8453

Molecular Formula

C30H40N2O4 (C30 H40 N2 O4)

Compound Name

ethyl 4-{[8-(4-{[methyl(pentyl)amino]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

IUPAC name

ethyl 4-{[8-(4-{[methyl(pentyl)amino]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

SMILES

CCCCCN(C)Cc(cc1)ccc1C(N(C(CC1)C2)C1CC2Oc(cc1)ccc1C(OCC)=O)=O

InChI

InChI=1S/C30H40N2O4/c1-4-6-7-18-31(3)21-22-8-10-23(11-9-22)29(33)32-25-14-15-26(32)20-28(19-25)36-27-16-12-24(13-17-27)30(34)35-5-2/h8-13,16-17,25-26,28H,4-7,14-15,18-21H2,1-3H3

InChI Key

DUOPGESGQWNPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949679

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-4.06

Polar Surface Area

46.868

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

V006-8453 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V006-8453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8453?
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What is the minimum amount of V006-8453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8453
  • 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 V006-8453 available by request