K788-9954 Screening compound: N,N-diethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

K788-9954 Screening compound: N,N-diethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
K788-9954 Screening compound: N,N-diethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9954
N,N-diethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

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

K788-9954

Molecular Formula

C20H29N3O5S (C20 H29 N3 O5 S)

Compound Name

N,N-diethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

NN-diethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc(N2CC(N3CCC(C)CC3)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C20H29N3O5S/c1-4-22(5-2)29(26,27)16-6-7-18-17(12-16)23(20(25)14-28-18)13-19(24)21-10-8-15(3)9-11-21/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3

InChI Key

DJSWHLZTFRMNRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.660

Distribution Coefficient, logD

1.660

Water Solubility, LogSw

-2.63

Polar Surface Area

71.557

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

K788-9954 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 K788-9954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9954?
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What is the minimum amount of K788-9954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9954
  • 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 K788-9954 available by request