SC09-0132 Screening compound: (3S)-7-(4-fluorophenyl)-4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0132 Screening compound: (3S)-7-(4-fluorophenyl)-4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0132 Screening compound: (3S)-7-(4-fluorophenyl)-4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0132
(3S)-7-(4-fluorophenyl)-4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-methyl-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

SC09-0132

Molecular Formula

C23H26FN3O (C23 H26 FN3 O)

Compound Name

(3S)-7-(4-fluorophenyl)-4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

(3S)-7-(4-fluorophenyl)-3-methyl-4-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-2345-tetrahydro-14-benzoxazepine

SMILES

CC(C)n1ncc(CN(C2)[C@@H](C)COc(cc3)c2cc3-c(cc2)ccc2F)c1

InChI

InChI=1S/C23H26FN3O/c1-16(2)27-13-18(11-25-27)12-26-14-21-10-20(19-4-7-22(24)8-5-19)6-9-23(21)28-15-17(26)3/h4-11,13,16-17H,12,14-15H2,1-3H3/t17-/m1/s1

InChI Key

DUPSGESOODFRNK-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

-0.504

Water Solubility, LogSw

-4.66

Polar Surface Area

26.554

Acid Dissociation Constant (pKa)

23.52

Base Dissociation Constant (pKb)

12.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

SC09-0132 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 SC09-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SC09-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0132
  • 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 SC09-0132 available by request