D374-0148 Screening compound: 4-(2-methylpropoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

D374-0148 Screening compound: 4-(2-methylpropoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide
D374-0148 Screening compound: 4-(2-methylpropoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D374-0148
4-(2-methylpropoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

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

D374-0148

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

4-(2-methylpropoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

IUPAC name

4-(2-methylpropoxy)-N-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)benzamide

SMILES

CC(C)COc(cc1)ccc1C(Nc(cc1)cc(N2)c1OCC2=O)=O

InChI

InChI=1S/C19H20N2O4/c1-12(2)10-24-15-6-3-13(4-7-15)19(23)20-14-5-8-17-16(9-14)21-18(22)11-25-17/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,22)

InChI Key

VACSEFZZKLLJFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10893364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.42

Polar Surface Area

64.099

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D374-0148 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D374-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D374-0148?
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What is the minimum amount of D374-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D374-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D374-0148
  • 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 D374-0148 available by request