C699-0767 Screening compound: 6-(azepane-1-carbonyl)-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine

C699-0767 Screening compound: 6-(azepane-1-carbonyl)-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine
C699-0767 Screening compound: 6-(azepane-1-carbonyl)-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0767
6-(azepane-1-carbonyl)-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine

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

C699-0767

Molecular Formula

C22H25FN2OS (C22 H25 FN2 OS)

Compound Name

6-(azepane-1-carbonyl)-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine

IUPAC name

6-(azepane-1-carbonyl)-4-[(4-fluorophenyl)methyl]-34-dihydro-2H-14-benzothiazine

SMILES

O=C(c(cc1)cc2c1SCCN2Cc(cc1)ccc1F)N1CCCCCC1

InChI

InChI=1S/C22H25FN2OS/c23-19-8-5-17(6-9-19)16-25-13-14-27-21-10-7-18(15-20(21)25)22(26)24-11-3-1-2-4-12-24/h5-10,15H,1-4,11-14,16H2

InChI Key

GWXBJDVJCZGMQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.24

Polar Surface Area

19.781

Acid Dissociation Constant (pKa)

26.33

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C699-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0767?
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What is the minimum amount of C699-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0767
  • 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 C699-0767 available by request