F898-0933 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-methyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

F898-0933 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-methyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
F898-0933 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-methyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F898-0933
N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-methyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

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

F898-0933

Molecular Formula

C21H32N4O6S (C21 H32 N4 O6 S)

Compound Name

N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-methyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

IUPAC name

N-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-methyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

SMILES

CC(CC1)CCN1C(c1cc(S(N(C)CC(N(CC2)CCC22OCCO2)=O)(=O)=O)c[nH]1)=O

InChI

InChI=1S/C21H32N4O6S/c1-16-3-7-25(8-4-16)20(27)18-13-17(14-22-18)32(28,29)23(2)15-19(26)24-9-5-21(6-10-24)30-11-12-31-21/h13-14,16,22H,3-12,15H2,1-2H3

InChI Key

RZZNAVHYOZJCRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.417

Distribution Coefficient, logD

0.417

Water Solubility, LogSw

-2.14

Polar Surface Area

90.436

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

F898-0933 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F898-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F898-0933?
Check Price and Availability of F898-0933, 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 F898-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F898-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F898-0933
  • 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 F898-0933 available by request