Y600-3511 Screening compound: 7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazino]-3,7-dihydro-1H-purine-2,6-dione

Y600-3511 Screening compound: 7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazino]-3,7-dihydro-1H-purine-2,6-dione
Y600-3511 Screening compound: 7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazino]-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-3511
7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazino]-3,7-dihydro-1H-purine-2,6-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

Y600-3511

Molecular Formula

C27H30N6O3 (C27 H30 N6 O3)

Compound Name

7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazino]-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

7-benzyl-13-dimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc3ccccc3)c(N(CC3)CCN3C(CCc3ccccc3)=O)n1)C2=O

InChI

InChI=1S/C27H30N6O3/c1-29-24-23(25(35)30(2)27(29)36)33(19-21-11-7-4-8-12-21)26(28-24)32-17-15-31(16-18-32)22(34)14-13-20-9-5-3-6-10-20/h3-12H,13-19H2,1-2H3

InChI Key

BULFBXGRPNQEHH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-3.96

Polar Surface Area

61.626

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y600-3511 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 Y600-3511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-3511?
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What is the minimum amount of Y600-3511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-3511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-3511
  • 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 Y600-3511 available by request