C699-0402 Screening compound: 4-[(4-methylphenyl)methyl]-N-[3-(propan-2-yloxy)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0402 Screening compound: 4-[(4-methylphenyl)methyl]-N-[3-(propan-2-yloxy)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0402 Screening compound: 4-[(4-methylphenyl)methyl]-N-[3-(propan-2-yloxy)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0402
4-[(4-methylphenyl)methyl]-N-[3-(propan-2-yloxy)propyl]-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

C699-0402

Molecular Formula

C23H30N2O2S (C23 H30 N2 O2 S)

Compound Name

4-[(4-methylphenyl)methyl]-N-[3-(propan-2-yloxy)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-[(4-methylphenyl)methyl]-N-[3-(propan-2-yloxy)propyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CC(C)OCCCNC(c(cc1)cc2c1SCCN2Cc1ccc(C)cc1)=O

InChI

InChI=1S/C23H30N2O2S/c1-17(2)27-13-4-11-24-23(26)20-9-10-22-21(15-20)25(12-14-28-22)16-19-7-5-18(3)6-8-19/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,24,26)

InChI Key

DXFUPZKMZPBXQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.01

Polar Surface Area

34.529

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C699-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0402?
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What is the minimum amount of C699-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0402
  • 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 C699-0402 available by request