SC09-0060 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

SC09-0060 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
SC09-0060 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0060
(2,4-dimethyl-1,3-thiazol-5-yl)[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

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

SC09-0060

Molecular Formula

C22H21FN2O2S (C22 H21 FN2 O2 S)

Compound Name

(2,4-dimethyl-1,3-thiazol-5-yl)[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

IUPAC name

(3S)-4-(24-dimethyl-13-thiazole-5-carbonyl)-7-(3-fluorophenyl)-3-methyl-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H](COc(cc1)c(C2)cc1-c1cc(F)ccc1)N2C(c1c(C)nc(C)s1)=O

InChI

InChI=1S/C22H21FN2O2S/c1-13-12-27-20-8-7-17(16-5-4-6-19(23)10-16)9-18(20)11-25(13)22(26)21-14(2)24-15(3)28-21/h4-10,13H,11-12H2,1-3H3/t13-/m0/s1

InChI Key

PVDYBFXJECFJPU-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.297

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.48

Polar Surface Area

34.731

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

SC09-0060 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with SC09-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0060?
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What is the minimum amount of SC09-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0060
  • 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 SC09-0060 available by request