C798-0274 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

C798-0274 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide
C798-0274 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0274
N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(6-methyl-3-oxo-3,4-dihydro-2H-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

C798-0274

Molecular Formula

C23H35N3O3 (C23 H35 N3 O3)

Compound Name

N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

IUPAC name

N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)butanamide

SMILES

CCC1N(CCCNC(CCCN2c(cc(C)cc3)c3OCC2=O)=O)CCCC1

InChI

InChI=1S/C23H35N3O3/c1-3-19-8-4-5-13-25(19)14-7-12-24-22(27)9-6-15-26-20-16-18(2)10-11-21(20)29-17-23(26)28/h10-11,16,19H,3-9,12-15,17H2,1-2H3,(H,24,27)/t19-/m0/s1

InChI Key

GZCFCTYHVCLPKN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14798951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

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

1.835

Distribution Coefficient, logD

-1.090

Water Solubility, LogSw

-2.20

Polar Surface Area

52.154

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

C798-0274 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C798-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0274?
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What is the minimum amount of C798-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0274
  • 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 C798-0274 available by request