SC09-0008 Screening compound: (3S)-7-(4-fluorophenyl)-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0008 Screening compound: (3S)-7-(4-fluorophenyl)-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0008 Screening compound: (3S)-7-(4-fluorophenyl)-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0008
(3S)-7-(4-fluorophenyl)-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

SC09-0008

Molecular Formula

C21H21FN2OS (C21 H21 FN2 OS)

Compound Name

(3S)-7-(4-fluorophenyl)-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

(3S)-7-(4-fluorophenyl)-3-methyl-4-[(4-methyl-13-thiazol-5-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H]1N(Cc2c(C)ncs2)Cc(cc(cc2)-c(cc3)ccc3F)c2OC1

InChI

InChI=1S/C21H21FN2OS/c1-14-12-25-20-8-5-17(16-3-6-19(22)7-4-16)9-18(20)10-24(14)11-21-15(2)23-13-26-21/h3-9,13-14H,10-12H2,1-2H3/t14-/m0/s1

InChI Key

ZWXURTVZTLQABG-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

4.738

Water Solubility, LogSw

-4.90

Polar Surface Area

21.797

Acid Dissociation Constant (pKa)

25.59

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

SC09-0008 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC09-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0008?
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What is the minimum amount of SC09-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0008
  • 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 SC09-0008 available by request