F118-0533 Screening compound: 4-{[(2H-1,3-BENZODIOXOL-5-YL)CARBAMOYL]METHYL}-N,N-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE

F118-0533 Screening compound: 4-{[(2H-1,3-BENZODIOXOL-5-YL)CARBAMOYL]METHYL}-N,N-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE
F118-0533 Screening compound: 4-{[(2H-1,3-BENZODIOXOL-5-YL)CARBAMOYL]METHYL}-N,N-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0533
4-{[(2H-1,3-BENZODIOXOL-5-YL)CARBAMOYL]METHYL}-N,N-DIMETHYL-3-OXO-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

F118-0533

Molecular Formula

C20H19N3O6 (C20 H19 N3 O6)

Compound Name

4-{[(2H-1,3-BENZODIOXOL-5-YL)CARBAMOYL]METHYL}-N,N-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXAMIDE

IUPAC name

n/a

SMILES

CN(C)C(c(cc1)cc(N2CC(Nc(cc3)cc4c3OCO4)=O)c1OCC2=O)=O

InChI

InChI=1S/C20H19N3O6/c1-22(2)20(26)12-3-5-15-14(7-12)23(19(25)10-27-15)9-18(24)21-13-4-6-16-17(8-13)29-11-28-16/h3-8H,9-11H2,1-2H3,(H,21,24)

InChI Key

VFISQBJDZZSKGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.601

Distribution Coefficient, logD

0.601

Water Solubility, LogSw

-2.18

Polar Surface Area

80.334

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F118-0533 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F118-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0533?
Check Price and Availability of F118-0533, 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 F118-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0533
  • 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 F118-0533 available by request