SC09-0234 Screening compound: (3R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-7-(5-pyrimidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0234 Screening compound: (3R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-7-(5-pyrimidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0234 Screening compound: (3R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-7-(5-pyrimidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0234
(3R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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

SC09-0234

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

(3R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-7-(5-pyrimidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

(3R)-4-[(23-dihydro-14-benzodioxin-6-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@H]1N(Cc(cc2)cc3c2OCCO3)Cc(cc(cc2)-c3cncnc3)c2OC1

InChI

InChI=1S/C23H23N3O3/c1-16-14-29-21-5-3-18(20-10-24-15-25-11-20)9-19(21)13-26(16)12-17-2-4-22-23(8-17)28-7-6-27-22/h2-5,8-11,15-16H,6-7,12-14H2,1H3/t16-/m1/s1

InChI Key

SIOXTLZLURMXRQ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.341

Distribution Coefficient, logD

1.148

Water Solubility, LogSw

-2.49

Polar Surface Area

48.165

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

SC09-0234 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC09-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0234?
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What is the minimum amount of SC09-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0234
  • 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 SC09-0234 available by request