Y021-1352 Screening compound: 2-morpholino-6-phenyl-3,4b,7a,8-tetrahydropyrrolo[3',4':4,5]pyrrolo[2,3-d]pyrimidine-4,5,7(6H)-trione

Y021-1352 Screening compound: 2-morpholino-6-phenyl-3,4b,7a,8-tetrahydropyrrolo[3',4':4,5]pyrrolo[2,3-d]pyrimidine-4,5,7(6H)-trione
Y021-1352 Screening compound: 2-morpholino-6-phenyl-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 Y021-1352
2-morpholino-6-phenyl-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

Y021-1352

Molecular Formula

C18H17N5O4 (C18 H17 N5 O4)

Compound Name

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

IUPAC name

10-(morpholin-4-yl)-4-phenyl-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=C3N2CCOCC2)N1c1ccccc1

InChI

InChI=1S/C18H17N5O4/c24-15-12-11-13(17(26)23(16(11)25)10-4-2-1-3-5-10)19-14(12)20-18(21-15)22-6-8-27-9-7-22/h1-5,11,13H,6-9H2,(H2,19,20,21,24)

InChI Key

UAPKHHLJBGOBQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31615004

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

367.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.019

Distribution Coefficient, logD

-1.019

Water Solubility, LogSw

-1.71

Polar Surface Area

85.815

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

Y021-1352 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y021-1352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1352?
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What is the minimum amount of Y021-1352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1352
  • 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 Y021-1352 available by request