C798-0303 Screening compound: N-(3-isopropoxypropyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide

C798-0303 Screening compound: N-(3-isopropoxypropyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
C798-0303 Screening compound: N-(3-isopropoxypropyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0303
N-(3-isopropoxypropyl)-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

C798-0303

Molecular Formula

C19H28N2O4 (C19 H28 N2 O4)

Compound Name

N-(3-isopropoxypropyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide

IUPAC name

4-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-[3-(propan-2-yloxy)propyl]butanamide

SMILES

CC(C)OCCCNC(CCCN1c(cc(C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C19H28N2O4/c1-14(2)24-11-5-9-20-18(22)6-4-10-21-16-12-15(3)7-8-17(16)25-13-19(21)23/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,20,22)

InChI Key

ZGEAJFYQTHGWBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.984

Distribution Coefficient, logD

0.984

Water Solubility, LogSw

-2.05

Polar Surface Area

55.832

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C798-0303 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C798-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0303?
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What is the minimum amount of C798-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0303
  • 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 C798-0303 available by request