SC09-0063 Screening compound: (3S)-7-(3-fluorophenyl)-3-methyl-4-(4-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0063 Screening compound: (3S)-7-(3-fluorophenyl)-3-methyl-4-(4-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0063 Screening compound: (3S)-7-(3-fluorophenyl)-3-methyl-4-(4-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0063
(3S)-7-(3-fluorophenyl)-3-methyl-4-(4-pyridylmethyl)-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

SC09-0063

Molecular Formula

C22H21FN2O (C22 H21 FN2 O)

Compound Name

(3S)-7-(3-fluorophenyl)-3-methyl-4-(4-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

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

SMILES

C[C@@H]1N(Cc2ccncc2)Cc(cc(cc2)-c3cccc(F)c3)c2OC1

InChI

InChI=1S/C22H21FN2O/c1-16-15-26-22-6-5-19(18-3-2-4-21(23)12-18)11-20(22)14-25(16)13-17-7-9-24-10-8-17/h2-12,16H,13-15H2,1H3/t16-/m1/s1

InChI Key

CZHYJZICIMEIDG-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.42

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

4.418

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.24

Polar Surface Area

21.021

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

SC09-0063 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with SC09-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0063?
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What is the minimum amount of SC09-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0063
  • 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 SC09-0063 available by request