8012-3882 Screening compound: 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8012-3882 Screening compound: 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8012-3882 Screening compound: 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3882
8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-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

8012-3882

Molecular Formula

C20H25N5O6 (C20 H25 N5 O6)

Compound Name

8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(c(cc3)ccc3OC)=O)c(N(CCO)CCO)n1)C2=O

InChI

InChI=1S/C20H25N5O6/c1-22-17-16(18(29)23(2)20(22)30)25(19(21-17)24(8-10-26)9-11-27)12-15(28)13-4-6-14(31-3)7-5-13/h4-7,26-27H,8-12H2,1-3H3

InChI Key

CMMIRKORBLPLMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.054

Distribution Coefficient, logD

1.054

Water Solubility, LogSw

-1.88

Polar Surface Area

99.590

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8012-3882 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8012-3882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3882?
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What is the minimum amount of 8012-3882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3882
  • 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 8012-3882 available by request