V007-0432 Screening compound: ethyl 4-{[8-(4-{[(2-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

V007-0432 Screening compound: ethyl 4-{[8-(4-{[(2-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
V007-0432 Screening compound: ethyl 4-{[8-(4-{[(2-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0432
ethyl 4-{[8-(4-{[(2-tert-butylphenyl)sulfanyl]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

V007-0432

Molecular Formula

C34H39NO4S (C34 H39 NO4 S)

Compound Name

ethyl 4-{[8-(4-{[(2-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

IUPAC name

ethyl 4-{[8-(4-{[(2-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

SMILES

CCOC(c(cc1)ccc1OC(CC1CC2)CC2N1C(c1ccc(CSc2c(C(C)(C)C)cccc2)cc1)=O)=O

InChI

InChI=1S/C34H39NO4S/c1-5-38-33(37)25-14-18-28(19-15-25)39-29-20-26-16-17-27(21-29)35(26)32(36)24-12-10-23(11-13-24)22-40-31-9-7-6-8-30(31)34(2,3)4/h6-15,18-19,26-27,29H,5,16-17,20-22H2,1-4H3

InChI Key

KUNZTXVWYXYPHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.686

Distribution Coefficient, logD

5.686

Water Solubility, LogSw

-5.45

Polar Surface Area

42.502

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

V007-0432 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V007-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0432?
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What is the minimum amount of V007-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0432
  • 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 V007-0432 available by request