C122-0268 Screening compound: 4-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0268 Screening compound: 4-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0268 Screening compound: 4-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0268
4-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

C122-0268

Molecular Formula

C21H23ClN2O2S (C21 H23 ClN2 O2 S)

Compound Name

4-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CC(C)CCNC(c(cc1)cc(N2Cc(cc3)ccc3Cl)c1SCC2=O)=O

InChI

InChI=1S/C21H23ClN2O2S/c1-14(2)9-10-23-21(26)16-5-8-19-18(11-16)24(20(25)13-27-19)12-15-3-6-17(22)7-4-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26)

InChI Key

NQPAMVSRIZECEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.68

Polar Surface Area

40.145

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C122-0268 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C122-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0268?
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What is the minimum amount of C122-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0268
  • 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 C122-0268 available by request