Y020-9038 Screening compound: 3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

Y020-9038 Screening compound: 3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
Y020-9038 Screening compound: 3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9038
3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

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

Y020-9038

Molecular Formula

C22H18F3N3O3 (C22 H18 F3 N3 O3)

Compound Name

3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

IUPAC name

3-{1H2H3H4H9H-pyrido[34-b]indol-2-yl}-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N(CC2)Cc3c2c(cccc2)c2[nH]3)N1c(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C22H18F3N3O3/c23-22(24,25)31-14-7-5-13(6-8-14)28-20(29)11-19(21(28)30)27-10-9-16-15-3-1-2-4-17(15)26-18(16)12-27/h1-8,19,26H,9-12H2/t19-/m1/s1

InChI Key

UBIFFCVIEQPKFB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD13873489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.15

Polar Surface Area

48.436

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

Y020-9038 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-9038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9038?
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What is the minimum amount of Y020-9038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9038
  • 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 Y020-9038 available by request