G946-0426 Screening compound: 7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0426 Screening compound: 7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0426 Screening compound: 7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0426
7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[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

G946-0426

Molecular Formula

C30H26N4O2S (C30 H26 N4 O2 S)

Compound Name

7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

5-{5-[4-(25-dimethyl-1H-pyrrol-1-yl)phenyl]-124-oxadiazol-3-yl}-9-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

CCCN(c(ccc(-c1noc(-c(cc2)ccc2-n2c(C)ccc2C)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C30H26N4O2S/c1-4-17-33-25-16-13-22(18-27(25)37-26-8-6-5-7-24(26)30(33)35)28-31-29(36-32-28)21-11-14-23(15-12-21)34-19(2)9-10-20(34)3/h5-16,18H,4,17H2,1-3H3

InChI Key

LSVCUNNYGCBMFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.465

Distribution Coefficient, logD

7.465

Water Solubility, LogSw

-5.62

Polar Surface Area

49.945

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G946-0426 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G946-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0426?
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What is the minimum amount of G946-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0426
  • 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 G946-0426 available by request