C200-4823 Screening compound: 2-benzyl-6-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione

C200-4823 Screening compound: 2-benzyl-6-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione
C200-4823 Screening compound: 2-benzyl-6-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4823
2-benzyl-6-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione

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

C200-4823

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

2-benzyl-6-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione

IUPAC name

2-benzyl-6-[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]-1lambda626-thiadiazinane-11-dione

SMILES

Cc(cc1)cc2c1OCCN2C(CN(CCCN1Cc2ccccc2)S1(=O)=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-17-8-9-20-19(14-17)24(12-13-28-20)21(25)16-23-11-5-10-22(29(23,26)27)15-18-6-3-2-4-7-18/h2-4,6-9,14H,5,10-13,15-16H2,1H3

InChI Key

DIPMKQVKLBZPQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.81

Polar Surface Area

59.387

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C200-4823 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-4823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4823?
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What is the minimum amount of C200-4823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4823
  • 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 C200-4823 available by request