8537-3030 Screening compound: N~2~,N~2~-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

8537-3030 Screening compound: N~2~,N~2~-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
8537-3030 Screening compound: N~2~,N~2~-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8537-3030
N~2~,N~2~-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-2-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

8537-3030

Molecular Formula

C11H14N2O2 (C11 H14 N2 O2)

Compound Name

N~2~,N~2~-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

NN-dimethyl-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

CN(C)C(C1Oc(cccc2)c2NC1)=O

InChI

InChI=1S/C11H14N2O2/c1-13(2)11(14)10-7-12-8-5-3-4-6-9(8)15-10/h3-6,10,12H,7H2,1-2H3/t10-/m0/s1

InChI Key

KALHIFMEVARQPG-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.669

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-1.70

Polar Surface Area

34.716

Acid Dissociation Constant (pKa)

18.38

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8537-3030 in Drug Discovery

Included in Screening Libraries

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

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 8537-3030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8537-3030?
Check Price and Availability of 8537-3030, 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 8537-3030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8537-3030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8537-3030
  • 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 8537-3030 available by request