C301-0682 Screening compound: (3E)-6-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one

C301-0682 Screening compound: (3E)-6-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
C301-0682 Screening compound: (3E)-6-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0682
(3E)-6-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-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

C301-0682

Molecular Formula

C18H14ClNO3 (C18 H14 ClNO3)

Compound Name

(3E)-6-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one

IUPAC name

(3E)-6-chloro-3-[2-(25-dimethylphenyl)-2-oxoethylidene]-34-dihydro-2H-14-benzoxazin-2-one

SMILES

Cc1cc(C(/C=C2/Nc(cc(cc3)Cl)c3OC2=O)=O)c(C)cc1

InChI

InChI=1S/C18H14ClNO3/c1-10-3-4-11(2)13(7-10)16(21)9-15-18(22)23-17-6-5-12(19)8-14(17)20-15/h3-9,20H,1-2H3

InChI Key

IMTYPLFLLYPUKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.657

Distribution Coefficient, logD

4.656

Water Solubility, LogSw

-4.72

Polar Surface Area

45.395

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C301-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0682?
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What is the minimum amount of C301-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0682
  • 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 C301-0682 available by request