K788-9958 Screening compound: 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

K788-9958 Screening compound: 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
K788-9958 Screening compound: 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9958
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-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

K788-9958

Molecular Formula

C26H34N4O5S (C26 H34 N4 O5 S)

Compound Name

4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

4-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-NN-diethyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc(N2CC(N(CC3)CCN3c3c(C)ccc(C)c3)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C26H34N4O5S/c1-5-29(6-2)36(33,34)21-9-10-24-23(16-21)30(26(32)18-35-24)17-25(31)28-13-11-27(12-14-28)22-15-19(3)7-8-20(22)4/h7-10,15-16H,5-6,11-14,17-18H2,1-4H3

InChI Key

FATFPFFFKIRUPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.27

Polar Surface Area

74.517

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with K788-9958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9958?
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What is the minimum amount of K788-9958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9958
  • 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 K788-9958 available by request