6335-0019 Screening compound: 9-[4-(benzyloxy)-3-methoxyphenyl]-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one

6335-0019 Screening compound: 9-[4-(benzyloxy)-3-methoxyphenyl]-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one
6335-0019 Screening compound: 9-[4-(benzyloxy)-3-methoxyphenyl]-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6335-0019
9-[4-(benzyloxy)-3-methoxyphenyl]-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-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

6335-0019

Molecular Formula

C25H25NO3S2 (C25 H25 NO3 S2)

Compound Name

9-[4-(benzyloxy)-3-methoxyphenyl]-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one

IUPAC name

9-[4-(benzyloxy)-3-methoxyphenyl]-37-dithia-5-azatetracyclo[9.2.1.0^{210}.0^{48}]tetradec-4(8)-en-6-one

SMILES

COc(cc(C1C(SC(N2)=O)=C2SC2C1C1CC2CC1)cc1)c1OCc1ccccc1

InChI

InChI=1S/C25H25NO3S2/c1-28-19-12-16(9-10-18(19)29-13-14-5-3-2-4-6-14)21-20-15-7-8-17(11-15)22(20)30-24-23(21)31-25(27)26-24/h2-6,9-10,12,15,17,20-22H,7-8,11,13H2,1H3,(H,26,27)

InChI Key

WMYNNKDBHMSULI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04494597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.799

Distribution Coefficient, logD

5.799

Water Solubility, LogSw

-5.60

Polar Surface Area

38.740

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-13.86

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

40.00

6335-0019 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6335-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6335-0019?
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What is the minimum amount of 6335-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6335-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6335-0019
  • 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 6335-0019 available by request