D631-0246 Screening compound: 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole

D631-0246 Screening compound: 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole
D631-0246 Screening compound: 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D631-0246
2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole

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

D631-0246

Molecular Formula

C17H16BrN3O2 (C17 H16 BrN3 O2)

Compound Name

2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole

IUPAC name

2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1H-13-benzodiazole

SMILES

O=C(c(o1)ccc1Br)N(CC1)CCC1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C17H16BrN3O2/c18-15-6-5-14(23-15)17(22)21-9-7-11(8-10-21)16-19-12-3-1-2-4-13(12)20-16/h1-6,11H,7-10H2,(H,19,20)

InChI Key

JZIYSYRMSHPKGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06750420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.10

Polar Surface Area

44.832

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D631-0246 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D631-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D631-0246?
Check Price and Availability of D631-0246, 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 D631-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D631-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D631-0246
  • 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 D631-0246 available by request