Y020-1339 Screening compound: 4',4',6'-trimethyl-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one

Y020-1339 Screening compound: 4',4',6'-trimethyl-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one
Y020-1339 Screening compound: 4',4',6'-trimethyl-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1339
4',4',6'-trimethyl-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-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

Y020-1339

Molecular Formula

C20H18N2OS (C20 H18 N2 OS)

Compound Name

4',4',6'-trimethyl-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one

IUPAC name

5'5'7'-trimethyl-3H-4'-azaspiro[13-benzothiazole-22'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')6'8'(12')9'-tetraen-3'-one

SMILES

CC1(C)N(C(C23Sc(cccc4)c4N2)=O)c2c3cccc2C(C)=C1

InChI

InChI=1S/C20H18N2OS/c1-12-11-19(2,3)22-17-13(12)7-6-8-14(17)20(18(22)23)21-15-9-4-5-10-16(15)24-20/h4-11,21H,1-3H3/t20-/m0/s1

InChI Key

JJHBQZSWUFVJEU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06610781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.656

Distribution Coefficient, logD

4.656

Water Solubility, LogSw

-4.55

Polar Surface Area

28.236

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y020-1339 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1339?
Check Price and Availability of Y020-1339, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y020-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1339
  • 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 Y020-1339 available by request