C699-0607 Screening compound: 4-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0607 Screening compound: 4-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0607 Screening compound: 4-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0607
4-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-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

C699-0607

Molecular Formula

C25H25FN2OS (C25 H25 FN2 OS)

Compound Name

4-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc2c1SCCN2Cc(cc1)ccc1F)NCCCc1ccccc1

InChI

InChI=1S/C25H25FN2OS/c26-22-11-8-20(9-12-22)18-28-15-16-30-24-13-10-21(17-23(24)28)25(29)27-14-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-13,17H,4,7,14-16,18H2,(H,27,29)

InChI Key

ONVUCKGBQWHDLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.332

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.63

Polar Surface Area

27.056

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C699-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0607?
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What is the minimum amount of C699-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0607
  • 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 C699-0607 available by request