Y600-3518 Screening compound: 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide

Y600-3518 Screening compound: 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide
Y600-3518 Screening compound: 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-3518
4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide

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

Y600-3518

Molecular Formula

C25H27N7O3 (C25 H27 N7 O3)

Compound Name

4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-(7-benzyl-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)-N-phenylpiperazine-1-carboxamide

SMILES

CN(c1c(C(N2C)=O)n(Cc3ccccc3)c(N(CC3)CCN3C(Nc3ccccc3)=O)n1)C2=O

InChI

InChI=1S/C25H27N7O3/c1-28-21-20(22(33)29(2)25(28)35)32(17-18-9-5-3-6-10-18)23(27-21)30-13-15-31(16-14-30)24(34)26-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3,(H,26,34)

InChI Key

HHUOKWNQXITVIJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-3.60

Polar Surface Area

70.974

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

Y600-3518 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y600-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-3518?
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What is the minimum amount of Y600-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-3518
  • 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 Y600-3518 available by request