Y600-2677 Screening compound: 8-[(4-fluorobenzyl)amino]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Y600-2677 Screening compound: 8-[(4-fluorobenzyl)amino]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Y600-2677 Screening compound: 8-[(4-fluorobenzyl)amino]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2677
8-[(4-fluorobenzyl)amino]-1,3-dimethyl-7-(4-methylbenzyl)-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

Y600-2677

Molecular Formula

C22H22FN5O2 (C22 H22 FN5 O2)

Compound Name

8-[(4-fluorobenzyl)amino]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

8-{[(4-fluorophenyl)methyl]amino}-13-dimethyl-7-[(4-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1ccc(Cn2c(NCc(cc3)ccc3F)nc(N(C)C(N3C)=O)c2C3=O)cc1

InChI

InChI=1S/C22H22FN5O2/c1-14-4-6-16(7-5-14)13-28-18-19(26(2)22(30)27(3)20(18)29)25-21(28)24-12-15-8-10-17(23)11-9-15/h4-11H,12-13H2,1-3H3,(H,24,25)

InChI Key

ABRGGLCWSKPEAV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.04

Polar Surface Area

54.846

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y600-2677 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y600-2677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2677?
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What is the minimum amount of Y600-2677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2677
  • 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 Y600-2677 available by request