D323-0331 Screening compound: 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole

D323-0331 Screening compound: 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole
D323-0331 Screening compound: 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D323-0331
2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-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

D323-0331

Molecular Formula

C17H16N2O2S (C17 H16 N2 O2 S)

Compound Name

2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole

IUPAC name

2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-13-benzoxazole

SMILES

O=C(c1cccs1)N(CC1)CCC1c1nc(cccc2)c2o1

InChI

InChI=1S/C17H16N2O2S/c20-17(15-6-3-11-22-15)19-9-7-12(8-10-19)16-18-13-4-1-2-5-14(13)21-16/h1-6,11-12H,7-10H2

InChI Key

FKUMIVRWKPCSGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-3.96

Polar Surface Area

34.715

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D323-0331 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Human GPCR Annotated Library (5539 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D323-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D323-0331?
Check Price and Availability of D323-0331, 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 D323-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D323-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D323-0331
  • 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 D323-0331 available by request