SC09-0014 Screening compound: [(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](tetrahydro-2H-pyran-4-yl)methanone

SC09-0014 Screening compound: [(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](tetrahydro-2H-pyran-4-yl)methanone
SC09-0014 Screening compound: [(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](tetrahydro-2H-pyran-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0014
[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](tetrahydro-2H-pyran-4-yl)methanone

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

SC09-0014

Molecular Formula

C22H24FNO3 (C22 H24 FNO3)

Compound Name

[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](tetrahydro-2H-pyran-4-yl)methanone

IUPAC name

(3S)-7-(4-fluorophenyl)-3-methyl-4-(oxane-4-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H](COc(cc1)c(C2)cc1-c(cc1)ccc1F)N2C(C1CCOCC1)=O

InChI

InChI=1S/C22H24FNO3/c1-15-14-27-21-7-4-18(16-2-5-20(23)6-3-16)12-19(21)13-24(15)22(25)17-8-10-26-11-9-17/h2-7,12,15,17H,8-11,13-14H2,1H3/t15-/m1/s1

InChI Key

OXXSIOFBJLSJIX-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.50

Polar Surface Area

32.443

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

SC09-0014 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SC09-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0014?
Check Price and Availability of SC09-0014, 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 SC09-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0014
  • 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 SC09-0014 available by request