C200-3212 Screening compound: 1-benzyl-3-{(Z)-1-[(2-furylmethyl)amino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H)-trione

C200-3212 Screening compound: 1-benzyl-3-{(Z)-1-[(2-furylmethyl)amino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H)-trione
C200-3212 Screening compound: 1-benzyl-3-{(Z)-1-[(2-furylmethyl)amino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3212
1-benzyl-3-{(Z)-1-[(2-furylmethyl)amino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H)-trione

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

C200-3212

Molecular Formula

C21H18N2O4S (C21 H18 N2 O4 S)

Compound Name

1-benzyl-3-{(Z)-1-[(2-furylmethyl)amino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H)-trione

IUPAC name

(3Z)-1-benzyl-3-({[(furan-2-yl)methyl]amino}methylidene)-34-dihydro-1H-2lambda61-benzothiazine-224-trione

SMILES

O=C(/C1=C/NCc2ccco2)c(cccc2)c2N(Cc2ccccc2)S1(=O)=O

InChI

InChI=1S/C21H18N2O4S/c24-21-18-10-4-5-11-19(18)23(15-16-7-2-1-3-8-16)28(25,26)20(21)14-22-13-17-9-6-12-27-17/h1-12,14,22H,13,15H2

InChI Key

NPUTXSPKUHPUKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.88

Polar Surface Area

64.789

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C200-3212 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-3212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3212?
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What is the minimum amount of C200-3212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3212
  • 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 C200-3212 available by request