P056-1121 Screening compound: 8-[5-(4-fluorobenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

P056-1121 Screening compound: 8-[5-(4-fluorobenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
P056-1121 Screening compound: 8-[5-(4-fluorobenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound P056-1121
8-[5-(4-fluorobenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

P056-1121

Molecular Formula

C22H23FN2O4S (C22 H23 FN2 O4 S)

Compound Name

8-[5-(4-fluorobenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[5-(4-fluorobenzoyl)-4H5H6H7H-thieno[32-c]pyridine-2-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1cc(CN(CC2)C(c(cc3)ccc3F)=O)c2s1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C22H23FN2O4S/c23-17-3-1-15(2-4-17)20(26)25-8-5-18-16(14-25)13-19(30-18)21(27)24-9-6-22(7-10-24)28-11-12-29-22/h1-4,13H,5-12,14H2

InChI Key

URDUCSQRTOOXTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.368

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-2.79

Polar Surface Area

48.652

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P056-1121 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P056-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P056-1121?
Check Price and Availability of P056-1121, 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 P056-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P056-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P056-1121
  • 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 P056-1121 available by request