D389-0302 Screening compound: methyl 2-[9-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

D389-0302 Screening compound: methyl 2-[9-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
D389-0302 Screening compound: methyl 2-[9-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-0302
methyl 2-[9-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

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

D389-0302

Molecular Formula

C20H23N5O4 (C20 H23 N5 O4)

Compound Name

methyl 2-[9-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

IUPAC name

methyl 2-[9-(35-dimethylphenyl)-1-methyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetate

SMILES

Cc1cc(N2c3nc(N(C)C(N(CC(OC)=O)C4=O)=O)c4n3CCC2)cc(C)c1

InChI

InChI=1S/C20H23N5O4/c1-12-8-13(2)10-14(9-12)23-6-5-7-24-16-17(21-19(23)24)22(3)20(28)25(18(16)27)11-15(26)29-4/h8-10H,5-7,11H2,1-4H3

InChI Key

KCCHJCHKBSOCNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04166005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-2.84

Polar Surface Area

65.633

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with D389-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0302?
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What is the minimum amount of D389-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0302
  • 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 D389-0302 available by request