Y021-2880 Screening compound: methyl 4-(8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

Y021-2880 Screening compound: methyl 4-(8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Y021-2880 Screening compound: methyl 4-(8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2880
methyl 4-(8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

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

Y021-2880

Molecular Formula

C28H28N2O4 (C28 H28 N2 O4)

Compound Name

methyl 4-(8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

methyl 4-{6-methoxy-91111-trimethyl-2-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)579-tetraen-3-yl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CC(C)(C=C(C)c1c2)N(C(C3c4c(-c5ccccc5)[nH]c(C)c4C(OC)=O)=O)c1c3cc2OC

InChI

InChI=1S/C28H28N2O4/c1-15-14-28(3,4)30-25-19(15)12-18(33-5)13-20(25)22(26(30)31)23-21(27(32)34-6)16(2)29-24(23)17-10-8-7-9-11-17/h7-14,22,29H,1-6H3/t22-/m0/s1

InChI Key

QFHZHZBSEMRSPZ-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.52

Polar Surface Area

55.849

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

Y021-2880 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2880?
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What is the minimum amount of Y021-2880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2880
  • 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 Y021-2880 available by request