C798-0345 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide

C798-0345 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
C798-0345 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0345
N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide

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

C798-0345

Molecular Formula

C21H23ClN2O5 (C21 H23 ClN2 O5)

Compound Name

N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide

IUPAC name

n/a

SMILES

Cc(cc1)cc(N2CCCC(Nc(c(OC)c3)cc(Cl)c3OC)=O)c1OCC2=O

InChI

InChI=1S/C21H23ClN2O5/c1-13-6-7-17-16(9-13)24(21(26)12-29-17)8-4-5-20(25)23-15-10-14(22)18(27-2)11-19(15)28-3/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,23,25)

InChI Key

GLMLJKQETYAKRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.575

Distribution Coefficient, logD

2.560

Water Solubility, LogSw

-3.28

Polar Surface Area

61.759

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C798-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0345?
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What is the minimum amount of C798-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0345
  • 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 C798-0345 available by request