D389-0566 Screening compound: 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

D389-0566 Screening compound: 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide
D389-0566 Screening compound: 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-0566
2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

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

D389-0566

Molecular Formula

C20H24N6O3 (C20 H24 N6 O3)

Compound Name

2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

IUPAC name

2-[9-(4-ethylphenyl)-17-dimethyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetamide

SMILES

CCc(cc1)ccc1N1c2nc(N(C)C(N(CC(N)=O)C3=O)=O)c3n2CC(C)C1

InChI

InChI=1S/C20H24N6O3/c1-4-13-5-7-14(8-6-13)24-9-12(2)10-25-16-17(22-19(24)25)23(3)20(29)26(18(16)28)11-15(21)27/h5-8,12H,4,9-11H2,1-3H3,(H2,21,27)/t12-/m0/s1

InChI Key

QPTJZYNVARYVOK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04170032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-2.70

Polar Surface Area

78.309

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D389-0566 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D389-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0566?
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What is the minimum amount of D389-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0566
  • 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 D389-0566 available by request