V008-4502 Screening compound: methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate

V008-4502 Screening compound: methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate
V008-4502 Screening compound: methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4502
methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}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

V008-4502

Molecular Formula

C32H35NO4S (C32 H35 NO4 S)

Compound Name

methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate

IUPAC name

methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate

SMILES

CC(C)c(cccc1)c1OC(CC1CC2)CC2N1C(c1ccc(CSc(cccc2)c2C(OC)=O)cc1)=O

InChI

InChI=1S/C32H35NO4S/c1-21(2)27-8-4-6-10-29(27)37-26-18-24-16-17-25(19-26)33(24)31(34)23-14-12-22(13-15-23)20-38-30-11-7-5-9-28(30)32(35)36-3/h4-15,21,24-26H,16-20H2,1-3H3

InChI Key

IKTMHPIYIFYKNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.61

Polar Surface Area

43.009

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

V008-4502 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V008-4502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4502?
Check Price and Availability of V008-4502, 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 V008-4502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4502
  • 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 V008-4502 available by request