2686-0242 Screening compound: 2-methyl-4-piperidino[1]benzofuro[3,2-d]pyrimidine

2686-0242 Screening compound: 2-methyl-4-piperidino[1]benzofuro[3,2-d]pyrimidine
2686-0242 Screening compound: 2-methyl-4-piperidino[1]benzofuro[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2686-0242
2-methyl-4-piperidino[1]benzofuro[3,2-d]pyrimidine

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

2686-0242

Molecular Formula

C16H17N3O (C16 H17 N3 O)

Compound Name

2-methyl-4-piperidino[1]benzofuro[3,2-d]pyrimidine

IUPAC name

4-methyl-6-(piperidin-1-yl)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene

SMILES

Cc1nc(N2CCCCC2)c2oc(cccc3)c3c2n1

InChI

InChI=1S/C16H17N3O/c1-11-17-14-12-7-3-4-8-13(12)20-15(14)16(18-11)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3

InChI Key

FJRULYBKKSLFOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00475708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.998

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.11

Polar Surface Area

30.713

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

2686-0242 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2686-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2686-0242?
Check Price and Availability of 2686-0242, 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 2686-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2686-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2686-0242
  • 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 2686-0242 available by request