SC09-0248 Screening compound: 2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(5-pyrimidinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-ethanone

SC09-0248 Screening compound: 2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(5-pyrimidinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-ethanone
SC09-0248 Screening compound: 2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(5-pyrimidinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0248
2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(5-pyrimidinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-ethanone

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

SC09-0248

Molecular Formula

C23H23N3O2 (C23 H23 N3 O2)

Compound Name

2-(4-methylphenyl)-1-[(3S)-3-methyl-7-(5-pyrimidinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-ethanone

IUPAC name

1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2345-tetrahydro-14-benzoxazepin-4-yl]-2-(4-methylphenyl)ethan-1-one

SMILES

C[C@@H](COc(cc1)c(C2)cc1-c1cncnc1)N2C(Cc1ccc(C)cc1)=O

InChI

InChI=1S/C23H23N3O2/c1-16-3-5-18(6-4-16)9-23(27)26-13-20-10-19(21-11-24-15-25-12-21)7-8-22(20)28-14-17(26)2/h3-8,10-12,15,17H,9,13-14H2,1-2H3/t17-/m0/s1

InChI Key

SCYULJQTSSXRHH-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-3.31

Polar Surface Area

44.565

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

SC09-0248 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC09-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0248?
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What is the minimum amount of SC09-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0248
  • 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 SC09-0248 available by request