G805-0544 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G805-0544 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G805-0544 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0544
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-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

G805-0544

Molecular Formula

C22H34N4O4S (C22 H34 N4 O4 S)

Compound Name

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(NCCCN(CC1)CCN1C1CCCCC1)(=O)=O

InChI

InChI=1S/C22H34N4O4S/c1-17-14-19-20(30-16-22(27)24-19)15-21(17)31(28,29)23-8-5-9-25-10-12-26(13-11-25)18-6-3-2-4-7-18/h14-15,18,23H,2-13,16H2,1H3,(H,24,27)

InChI Key

RJFQRIQROAQCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15037941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.079

Water Solubility, LogSw

-2.68

Polar Surface Area

82.184

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

G805-0544 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 G805-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0544?
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What is the minimum amount of G805-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0544
  • 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 G805-0544 available by request