8013-1723 Screening compound: 7-butyl-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8013-1723 Screening compound: 7-butyl-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8013-1723 Screening compound: 7-butyl-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1723
7-butyl-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,3,6,7-tetrahydro-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

8013-1723

Molecular Formula

C22H21Cl2N5O4 (C22 H21 Cl2 N5 O4)

Compound Name

7-butyl-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-butyl-8-{4-[(35-dichloropyridin-2-yl)oxy]phenoxy}-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCn1c(Oc(cc2)ccc2Oc(ncc(Cl)c2)c2Cl)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C22H21Cl2N5O4/c1-4-5-10-29-17-18(27(2)22(31)28(3)20(17)30)26-21(29)33-15-8-6-14(7-9-15)32-19-16(24)11-13(23)12-25-19/h6-9,11-12H,4-5,10H2,1-3H3

InChI Key

VOYIGVVRWONAOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.639

Distribution Coefficient, logD

5.639

Water Solubility, LogSw

-5.88

Polar Surface Area

66.645

Acid Dissociation Constant (pKa)

23.85

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 8013-1723 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1723
  • 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 8013-1723 available by request