C200-9388 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

C200-9388 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
C200-9388 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9388
2-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-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

C200-9388

Molecular Formula

C23H21FN2O6S (C23 H21 FN2 O6 S)

Compound Name

2-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(34-dimethoxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

COc(ccc(N(C(N(Cc(cc1)cc(F)c1OC)c1c2cccc1)=O)S2(=O)=O)c1)c1OC

InChI

InChI=1S/C23H21FN2O6S/c1-30-19-10-8-15(12-17(19)24)14-25-18-6-4-5-7-22(18)33(28,29)26(23(25)27)16-9-11-20(31-2)21(13-16)32-3/h4-13H,14H2,1-3H3

InChI Key

NXSMFCBZCVNNLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.01

Polar Surface Area

69.634

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-11.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C200-9388 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C200-9388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9388?
Check Price and Availability of C200-9388, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-9388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9388
  • 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 C200-9388 available by request