F681-0231 Screening compound: 1-ethyl-3-{3-[(4-ethylpiperazino)carbonyl]piperidino}-2(1H)-quinoxalinone

F681-0231 Screening compound: 1-ethyl-3-{3-[(4-ethylpiperazino)carbonyl]piperidino}-2(1H)-quinoxalinone
F681-0231 Screening compound: 1-ethyl-3-{3-[(4-ethylpiperazino)carbonyl]piperidino}-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound F681-0231
1-ethyl-3-{3-[(4-ethylpiperazino)carbonyl]piperidino}-2(1H)-quinoxalinone

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

F681-0231

Molecular Formula

C22H31N5O2 (C22 H31 N5 O2)

Compound Name

1-ethyl-3-{3-[(4-ethylpiperazino)carbonyl]piperidino}-2(1H)-quinoxalinone

IUPAC name

1-ethyl-3-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-12-dihydroquinoxalin-2-one

SMILES

CCN(CC1)CCN1C(C(CCC1)CN1C1=Nc(cccc2)c2N(CC)C1=O)=O

InChI

InChI=1S/C22H31N5O2/c1-3-24-12-14-25(15-13-24)21(28)17-8-7-11-26(16-17)20-22(29)27(4-2)19-10-6-5-9-18(19)23-20/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3/t17-/m0/s1

InChI Key

UJSSUGMXPKJKOE-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.403

Distribution Coefficient, logD

0.964

Water Solubility, LogSw

-1.98

Polar Surface Area

46.335

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

F681-0231 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 F681-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F681-0231?
Check Price and Availability of F681-0231, 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 F681-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F681-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F681-0231
  • 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 F681-0231 available by request