D652-0118 Screening compound: 2-{1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole

D652-0118 Screening compound: 2-{1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole
D652-0118 Screening compound: 2-{1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D652-0118
2-{1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole

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

D652-0118

Molecular Formula

C26H25N3O2S (C26 H25 N3 O2 S)

Compound Name

2-{1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole

IUPAC name

2-{1-[5-(5678-tetrahydronaphthalen-2-yl)-12-oxazole-3-carbonyl]piperidin-4-yl}-13-benzothiazole

SMILES

O=C(c1noc(-c2cc(CCCC3)c3cc2)c1)N(CC1)CCC1c1nc(cccc2)c2s1

InChI

InChI=1S/C26H25N3O2S/c30-26(22-16-23(31-28-22)20-10-9-17-5-1-2-6-19(17)15-20)29-13-11-18(12-14-29)25-27-21-7-3-4-8-24(21)32-25/h3-4,7-10,15-16,18H,1-2,5-6,11-14H2

InChI Key

WLLQCTBXHZIAFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.180

Distribution Coefficient, logD

6.180

Water Solubility, LogSw

-6.02

Polar Surface Area

47.791

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

D652-0118 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D652-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D652-0118?
Check Price and Availability of D652-0118, 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 D652-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D652-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D652-0118
  • 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 D652-0118 available by request