Y021-2785 Screening compound: 2-(4-benzylpiperidino)-6-(3-chlorophenyl)-3,4b,7a,8-tetrahydropyrrolo[3',4':4,5]pyrrolo[2,3-d]pyrimidine-4,5,7(6H)-trione

Y021-2785 Screening compound: 2-(4-benzylpiperidino)-6-(3-chlorophenyl)-3,4b,7a,8-tetrahydropyrrolo[3',4':4,5]pyrrolo[2,3-d]pyrimidine-4,5,7(6H)-trione
Y021-2785 Screening compound: 2-(4-benzylpiperidino)-6-(3-chlorophenyl)-3,4b,7a,8-tetrahydropyrrolo[3',4':4,5]pyrrolo[2,3-d]pyrimidine-4,5,7(6H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2785
2-(4-benzylpiperidino)-6-(3-chlorophenyl)-3,4b,7a,8-tetrahydropyrrolo[3',4':4,5]pyrrolo[2,3-d]pyrimidine-4,5,7(6H)-trione

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

Y021-2785

Molecular Formula

C26H24ClN5O3 (C26 H24 ClN5 O3)

Compound Name

2-(4-benzylpiperidino)-6-(3-chlorophenyl)-3,4b,7a,8-tetrahydropyrrolo[3',4':4,5]pyrrolo[2,3-d]pyrimidine-4,5,7(6H)-trione

IUPAC name

10-(4-benzylpiperidin-1-yl)-4-(3-chlorophenyl)-47911-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)9-diene-3512-trione

SMILES

O=C(C(C(C1=O)N2)C(C(N3)=O)=C2N=C3N2CCC(Cc3ccccc3)CC2)N1c1cccc(Cl)c1

InChI

InChI=1S/C26H24ClN5O3/c27-17-7-4-8-18(14-17)32-24(34)19-20-22(28-21(19)25(32)35)29-26(30-23(20)33)31-11-9-16(10-12-31)13-15-5-2-1-3-6-15/h1-8,14,16,19,21H,9-13H2,(H2,28,29,30,33)

InChI Key

SNCMJYFRUOPDBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32220912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-3.55

Polar Surface Area

77.635

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.77

Y021-2785 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 Y021-2785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2785?
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What is the minimum amount of Y021-2785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2785
  • 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 Y021-2785 available by request