SC09-0386 Screening compound: (3S)-3-methyl-4-[(3-methyl-2-thienyl)methyl]-7-(4-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0386 Screening compound: (3S)-3-methyl-4-[(3-methyl-2-thienyl)methyl]-7-(4-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0386 Screening compound: (3S)-3-methyl-4-[(3-methyl-2-thienyl)methyl]-7-(4-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0386
(3S)-3-methyl-4-[(3-methyl-2-thienyl)methyl]-7-(4-pyridyl)-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

SC09-0386

Molecular Formula

C21H22N2OS (C21 H22 N2 OS)

Compound Name

(3S)-3-methyl-4-[(3-methyl-2-thienyl)methyl]-7-(4-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

(3S)-3-methyl-4-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-4-yl)-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H]1N(Cc2c(C)ccs2)Cc(cc(cc2)-c3ccncc3)c2OC1

InChI

InChI=1S/C21H22N2OS/c1-15-7-10-25-21(15)13-23-12-19-11-18(17-5-8-22-9-6-17)3-4-20(19)24-14-16(23)2/h3-11,16H,12-14H2,1-2H3/t16-/m0/s1

InChI Key

LGKSPPQBIUCAIZ-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.48

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

4.727

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.58

Polar Surface Area

22.039

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

SC09-0386 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC09-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0386?
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What is the minimum amount of SC09-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0386
  • 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 SC09-0386 available by request