G946-0145 Screening compound: 7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0145 Screening compound: 7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0145 Screening compound: 7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0145
7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one

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

G946-0145

Molecular Formula

C23H16FN3O2S (C23 H16 FN3 O2 S)

Compound Name

7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

5-[5-(3-fluoro-4-methylphenyl)-124-oxadiazol-3-yl]-9-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

Cc(ccc(-c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C)C4=O)no1)c1)c1F

InChI

InChI=1S/C23H16FN3O2S/c1-13-7-8-15(11-17(13)24)22-25-21(26-29-22)14-9-10-18-20(12-14)30-19-6-4-3-5-16(19)23(28)27(18)2/h3-12H,1-2H3

InChI Key

MZFYBMNCQCDXJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.820

Distribution Coefficient, logD

5.820

Water Solubility, LogSw

-5.48

Polar Surface Area

46.844

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G946-0145 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0145?
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What is the minimum amount of G946-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0145
  • 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 G946-0145 available by request