Y021-2271 Screening compound: ethyl 4-[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]tetrahydro-1(2H)-pyrazinecarboxylate

Y021-2271 Screening compound: ethyl 4-[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]tetrahydro-1(2H)-pyrazinecarboxylate
Y021-2271 Screening compound: ethyl 4-[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2271
ethyl 4-[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

Y021-2271

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

ethyl 4-[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-({61111-trimethyl-23-dioxo-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)579-tetraen-9-yl}methyl)piperazine-1-carboxylate

SMILES

CCOC(N1CCN(CC(c2cc(C)cc(C3=O)c22)=CC(C)(C)N2C3=O)CC1)=O

InChI

InChI=1S/C22H27N3O4/c1-5-29-21(28)24-8-6-23(7-9-24)13-15-12-22(3,4)25-18-16(15)10-14(2)11-17(18)19(26)20(25)27/h10-12H,5-9,13H2,1-4H3

InChI Key

ZLDXBKSMUQZICF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30712750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.236

Water Solubility, LogSw

-3.02

Polar Surface Area

56.352

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y021-2271 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 Y021-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y021-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2271
  • 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 Y021-2271 available by request