C201-0728 Screening compound: N~1~-(2,5-difluorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]butanamide

C201-0728 Screening compound: N~1~-(2,5-difluorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]butanamide
C201-0728 Screening compound: N~1~-(2,5-difluorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0728
N~1~-(2,5-difluorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]butanamide

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

C201-0728

Molecular Formula

C17H15F2N3O5S2 (C17 H15 F2 N3 O5 S2)

Compound Name

N~1~-(2,5-difluorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]butanamide

IUPAC name

n/a

SMILES

CCC(C(Nc(cc(cc1)F)c1F)=O)S(c(cc1)cc2c1NC=NS2(=O)=O)(=O)=O

InChI

InChI=1S/C17H15F2N3O5S2/c1-2-15(17(23)22-14-7-10(18)3-5-12(14)19)28(24,25)11-4-6-13-16(8-11)29(26,27)21-9-20-13/h3-9,15H,2H2,1H3,(H,20,21)(H,22,23)/t15-/m0/s1

InChI Key

SRJSJLCFLPTBHT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14729498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-3.08

Polar Surface Area

105.489

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

C201-0728 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C201-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0728?
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What is the minimum amount of C201-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0728
  • 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 C201-0728 available by request