8012-3557 Screening compound: 8-(diethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8012-3557 Screening compound: 8-(diethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8012-3557 Screening compound: 8-(diethylamino)-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 8012-3557
8-(diethylamino)-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

8012-3557

Molecular Formula

C20H25N5O4 (C20 H25 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1nc(N(C)C(N(C)C2=O)=O)c2n1CC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H25N5O4/c1-6-24(7-2)19-21-17-16(18(27)23(4)20(28)22(17)3)25(19)12-15(26)13-8-10-14(29-5)11-9-13/h8-11H,6-7,12H2,1-5H3

InChI Key

YFLAOPONIWRFCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02983434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

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

2.977

Distribution Coefficient, logD

2.977

Water Solubility, LogSw

-3.20

Polar Surface Area

65.772

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8012-3557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3557?
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What is the minimum amount of 8012-3557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3557
  • 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 8012-3557 available by request