C798-0305 Screening compound: N-[3-(dipropylamino)propyl]-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

C798-0305 Screening compound: N-[3-(dipropylamino)propyl]-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide
C798-0305 Screening compound: N-[3-(dipropylamino)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 C798-0305
N-[3-(dipropylamino)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

C798-0305

Molecular Formula

C22H35N3O3 (C22 H35 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)CCCNC(CCCN1c(cc(C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C22H35N3O3/c1-4-12-24(13-5-2)14-7-11-23-21(26)8-6-15-25-19-16-18(3)9-10-20(19)28-17-22(25)27/h9-10,16H,4-8,11-15,17H2,1-3H3,(H,23,26)

InChI Key

VMOHTGKFHURCJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

-0.889

Water Solubility, LogSw

-2.47

Polar Surface Area

52.550

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

References: we are preparing a list of scientific research reports with C798-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0305?
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What is the minimum amount of C798-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0305
  • 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 C798-0305 available by request