8018-7210 Screening compound: 2-(4,5-dimethoxy-2-nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazin-4-one

8018-7210 Screening compound: 2-(4,5-dimethoxy-2-nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazin-4-one
8018-7210 Screening compound: 2-(4,5-dimethoxy-2-nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7210
2-(4,5-dimethoxy-2-nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazin-4-one

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

8018-7210

Molecular Formula

C16H14N2O6 (C16 H14 N2 O6)

Compound Name

2-(4,5-dimethoxy-2-nitrophenyl)-3,4-dihydro-2H-1,3-benzoxazin-4-one

IUPAC name

2-(45-dimethoxy-2-nitrophenyl)-34-dihydro-2H-13-benzoxazin-4-one

SMILES

COc(c(OC)c1)cc(C(N2)Oc(cccc3)c3C2=O)c1[N+]([O-])=O

InChI

InChI=1S/C16H14N2O6/c1-22-13-7-10(11(18(20)21)8-14(13)23-2)16-17-15(19)9-5-3-4-6-12(9)24-16/h3-8,16H,1-2H3,(H,17,19)/t16-/m0/s1

InChI Key

TYYMQPOUQDCAFS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08142726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-3.02

Polar Surface Area

81.901

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-6.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8018-7210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7210?
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What is the minimum amount of 8018-7210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7210
  • 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 8018-7210 available by request