SC09-0009 Screening compound: (3S)-7-(4-fluorophenyl)-3-methyl-4-(3,4,5-trimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0009 Screening compound: (3S)-7-(4-fluorophenyl)-3-methyl-4-(3,4,5-trimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0009 Screening compound: (3S)-7-(4-fluorophenyl)-3-methyl-4-(3,4,5-trimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0009
(3S)-7-(4-fluorophenyl)-3-methyl-4-(3,4,5-trimethoxybenzyl)-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

SC09-0009

Molecular Formula

C26H28FNO4 (C26 H28 FNO4)

Compound Name

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

IUPAC name

(3S)-7-(4-fluorophenyl)-3-methyl-4-[(345-trimethoxyphenyl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H]1N(Cc(cc2OC)cc(OC)c2OC)Cc(cc(cc2)-c(cc3)ccc3F)c2OC1

InChI

InChI=1S/C26H28FNO4/c1-17-16-32-23-10-7-20(19-5-8-22(27)9-6-19)13-21(23)15-28(17)14-18-11-24(29-2)26(31-4)25(12-18)30-3/h5-13,17H,14-16H2,1-4H3/t17-/m1/s1

InChI Key

CABMKGVKLOWVRT-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-5.68

Polar Surface Area

34.570

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

10.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with SC09-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0009?
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What is the minimum amount of SC09-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0009
  • 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 SC09-0009 available by request