V007-0472 Screening compound: ethyl 4-({8-[4-({[4-(propan-2-yl)phenyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate

V007-0472 Screening compound: ethyl 4-({8-[4-({[4-(propan-2-yl)phenyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate
V007-0472 Screening compound: ethyl 4-({8-[4-({[4-(propan-2-yl)phenyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0472
ethyl 4-({8-[4-({[4-(propan-2-yl)phenyl]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

V007-0472

Molecular Formula

C33H37NO4S (C33 H37 NO4 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1OC(CC1CC2)CC2N1C(c1ccc(CSc2ccc(C(C)C)cc2)cc1)=O)=O

InChI

InChI=1S/C33H37NO4S/c1-4-37-33(36)26-9-15-29(16-10-26)38-30-19-27-13-14-28(20-30)34(27)32(35)25-7-5-23(6-8-25)21-39-31-17-11-24(12-18-31)22(2)3/h5-12,15-18,22,27-28,30H,4,13-14,19-21H2,1-3H3

InChI Key

PAHURYHYCMZMAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.73

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

5.913

Distribution Coefficient, logD

5.913

Water Solubility, LogSw

-5.52

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

39.40

V007-0472 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V007-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0472?
Check Price and Availability of V007-0472, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V007-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0472
  • 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 V007-0472 available by request