F118-0492 Screening compound: N,N-DIMETHYL-3-OXO-4-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE

F118-0492 Screening compound: N,N-DIMETHYL-3-OXO-4-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE
F118-0492 Screening compound: N,N-DIMETHYL-3-OXO-4-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0492
N,N-DIMETHYL-3-OXO-4-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE

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

F118-0492

Molecular Formula

C17H21N3O4 (C17 H21 N3 O4)

Compound Name

N,N-DIMETHYL-3-OXO-4-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE

IUPAC name

NN-dimethyl-3-oxo-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

CN(C)C(c(cc1)cc(N2CC(N3CCCC3)=O)c1OCC2=O)=O

InChI

InChI=1S/C17H21N3O4/c1-18(2)17(23)12-5-6-14-13(9-12)20(16(22)11-24-14)10-15(21)19-7-3-4-8-19/h5-6,9H,3-4,7-8,10-11H2,1-2H3

InChI Key

RUPTYWURONTFPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.523

Distribution Coefficient, logD

-0.523

Water Solubility, LogSw

-1.62

Polar Surface Area

56.827

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

F118-0492 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F118-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0492?
Check Price and Availability of F118-0492, 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 F118-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0492
  • 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 F118-0492 available by request