5339-0278 Screening compound: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5339-0278 Screening compound: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5339-0278 Screening compound: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5339-0278
1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-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

5339-0278

Molecular Formula

C19H21Cl2N5O2 (C19 H21 Cl2 N5 O2)

Compound Name

1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-[(34-dichlorophenyl)methyl]-37-dimethyl-8-(piperidin-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(N2CCCCC2)nc(N(C)C(N2Cc(cc3)cc(Cl)c3Cl)=O)c1C2=O

InChI

InChI=1S/C19H21Cl2N5O2/c1-23-15-16(22-18(23)25-8-4-3-5-9-25)24(2)19(28)26(17(15)27)11-12-6-7-13(20)14(21)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3

InChI Key

ZRNHQZVUFGYKQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01237436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.43

Polar Surface Area

46.742

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

5339-0278 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5339-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5339-0278?
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What is the minimum amount of 5339-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5339-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5339-0278
  • 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 5339-0278 available by request