D652-0122 Screening compound: 2-{1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole

D652-0122 Screening compound: 2-{1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole
D652-0122 Screening compound: 2-{1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D652-0122
2-{1-[5-(4-bromophenyl)-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

D652-0122

Molecular Formula

C22H18BrN3O2S (C22 H18 BrN3 O2 S)

Compound Name

2-{1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-1,3-benzothiazole

IUPAC name

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

SMILES

O=C(c1noc(-c(cc2)ccc2Br)c1)N(CC1)CCC1c1nc(cccc2)c2s1

InChI

InChI=1S/C22H18BrN3O2S/c23-16-7-5-14(6-8-16)19-13-18(25-28-19)22(27)26-11-9-15(10-12-26)21-24-17-3-1-2-4-20(17)29-21/h1-8,13,15H,9-12H2

InChI Key

JCPUOBPCBALFCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.37

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

5.736

Distribution Coefficient, logD

5.736

Water Solubility, LogSw

-5.96

Polar Surface Area

47.871

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D652-0122 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D652-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D652-0122?
Check Price and Availability of D652-0122, 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 D652-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D652-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D652-0122
  • 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 D652-0122 available by request