C200-8804 Screening compound: N~1~-cyclohexyl-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

C200-8804 Screening compound: N~1~-cyclohexyl-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
C200-8804 Screening compound: N~1~-cyclohexyl-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8804
N~1~-cyclohexyl-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

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

C200-8804

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

N~1~-cyclohexyl-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

IUPAC name

N-cyclohexyl-2-[2-(3-ethylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]acetamide

SMILES

CCc1cccc(N(C(N(CC(NC2CCCCC2)=O)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C23H27N3O4S/c1-2-17-9-8-12-19(15-17)26-23(28)25(16-22(27)24-18-10-4-3-5-11-18)20-13-6-7-14-21(20)31(26,29)30/h6-9,12-15,18H,2-5,10-11,16H2,1H3,(H,24,27)

InChI Key

OAELMWRLFFYISQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

4.327

Water Solubility, LogSw

-4.23

Polar Surface Area

70.940

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C200-8804 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C200-8804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8804
  • 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 C200-8804 available by request