V006-5895 Screening compound: 6-chloro-2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}-1,3-benzoxazole

V006-5895 Screening compound: 6-chloro-2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}-1,3-benzoxazole
V006-5895 Screening compound: 6-chloro-2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5895
6-chloro-2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}-1,3-benzoxazole

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

V006-5895

Molecular Formula

C31H31ClN2O3S (C31 H31 ClN2 O3 S)

Compound Name

6-chloro-2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}-1,3-benzoxazole

IUPAC name

6-chloro-2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}-13-benzoxazole

SMILES

CC(C)c(cccc1)c1OC(CC1CC2)CC2N1C(c1ccc(CSc2nc(ccc(Cl)c3)c3o2)cc1)=O

InChI

InChI=1S/C31H31ClN2O3S/c1-19(2)26-5-3-4-6-28(26)36-25-16-23-12-13-24(17-25)34(23)30(35)21-9-7-20(8-10-21)18-38-31-33-27-14-11-22(32)15-29(27)37-31/h3-11,14-15,19,23-25H,12-13,16-18H2,1-2H3

InChI Key

WEFTVGLSMAWNCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.12

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.893

Distribution Coefficient, logD

5.893

Water Solubility, LogSw

-6.03

Polar Surface Area

38.499

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with V006-5895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5895?
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What is the minimum amount of V006-5895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5895
  • 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 V006-5895 available by request