Y600-2879 Screening compound: 2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazino]ethyl benzoate

Y600-2879 Screening compound: 2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazino]ethyl benzoate
Y600-2879 Screening compound: 2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazino]ethyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2879
2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazino]ethyl benzoate

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

Y600-2879

Molecular Formula

C20H24N6O4 (C20 H24 N6 O4)

Compound Name

2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazino]ethyl benzoate

IUPAC name

2-[4-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethyl benzoate

SMILES

CN(c1c(C(N2C)=O)[nH]c(N3CCN(CCOC(c4ccccc4)=O)CC3)n1)C2=O

InChI

InChI=1S/C20H24N6O4/c1-23-16-15(17(27)24(2)20(23)29)21-19(22-16)26-10-8-25(9-11-26)12-13-30-18(28)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,21,22)

InChI Key

FPNJGMSNNGILOJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.094

Water Solubility, LogSw

-2.45

Polar Surface Area

80.021

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y600-2879 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 Y600-2879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2879?
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What is the minimum amount of Y600-2879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2879
  • 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 Y600-2879 available by request