Y020-3902 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}pyrrolidine-2,5-dione

Y020-3902 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}pyrrolidine-2,5-dione
Y020-3902 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3902
1-(3-chloro-4-fluorophenyl)-3-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}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

Y020-3902

Molecular Formula

C21H17ClFN3O2 (C21 H17 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1=O)N(CC2)Cc3c2c(cccc2)c2[nH]3)N1c(cc1)cc(Cl)c1F

InChI

InChI=1S/C21H17ClFN3O2/c22-15-9-12(5-6-16(15)23)26-20(27)10-19(21(26)28)25-8-7-14-13-3-1-2-4-17(13)24-18(14)11-25/h1-6,9,19,24H,7-8,10-11H2/t19-/m1/s1

InChI Key

CUSMTWNNLLMQSI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12216760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-3.28

Polar Surface Area

42.500

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

Y020-3902 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y020-3902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3902?
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What is the minimum amount of Y020-3902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3902
  • 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 Y020-3902 available by request