SC09-0291 Screening compound: (3R)-4-[(3-fluoro-4-pyridyl)methyl]-3-methyl-7-(5-pyrimidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0291 Screening compound: (3R)-4-[(3-fluoro-4-pyridyl)methyl]-3-methyl-7-(5-pyrimidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0291 Screening compound: (3R)-4-[(3-fluoro-4-pyridyl)methyl]-3-methyl-7-(5-pyrimidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0291
(3R)-4-[(3-fluoro-4-pyridyl)methyl]-3-methyl-7-(5-pyrimidinyl)-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

SC09-0291

Molecular Formula

C20H19FN4O (C20 H19 FN4 O)

Compound Name

(3R)-4-[(3-fluoro-4-pyridyl)methyl]-3-methyl-7-(5-pyrimidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

(3R)-4-[(3-fluoropyridin-4-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@H]1N(Cc(ccnc2)c2F)Cc(cc(cc2)-c3cncnc3)c2OC1

InChI

InChI=1S/C20H19FN4O/c1-14-12-26-20-3-2-15(18-7-23-13-24-8-18)6-17(20)11-25(14)10-16-4-5-22-9-19(16)21/h2-9,13-14H,10-12H2,1H3/t14-/m1/s1

InChI Key

GIFNIKQGSCEHSS-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.539

Water Solubility, LogSw

-2.50

Polar Surface Area

41.860

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

SC09-0291 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC09-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0291?
Check Price and Availability of SC09-0291, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC09-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0291
  • 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 SC09-0291 available by request