C200-9494 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-3-piperidinecarboxylic acid

C200-9494 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-3-piperidinecarboxylic acid
C200-9494 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-3-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9494
1-[1]benzofuro[3,2-d]pyrimidin-4-yl-3-piperidinecarboxylic acid

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

C200-9494

Molecular Formula

C16H15N3O3 (C16 H15 N3 O3)

Compound Name

1-[1]benzofuro[3,2-d]pyrimidin-4-yl-3-piperidinecarboxylic acid

IUPAC name

1-{8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}piperidine-3-carboxylic acid

SMILES

OC(C(CCC1)CN1c1ncnc2c1oc1c2cccc1)=O

InChI

InChI=1S/C16H15N3O3/c20-16(21)10-4-3-7-19(8-10)15-14-13(17-9-18-15)11-5-1-2-6-12(11)22-14/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21)/t10-/m0/s1

InChI Key

FRKVAHBEYUCGNP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD26962703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.221

Distribution Coefficient, logD

-0.194

Water Solubility, LogSw

-2.28

Polar Surface Area

60.680

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C200-9494 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C200-9494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9494?
Check Price and Availability of C200-9494, 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 C200-9494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9494
  • 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 C200-9494 available by request