8020-7672 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~5~-(2,4-dimethoxyphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide

8020-7672 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~5~-(2,4-dimethoxyphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
8020-7672 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~5~-(2,4-dimethoxyphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7672
2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~5~-(2,4-dimethoxyphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide

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

8020-7672

Molecular Formula

C25H25N5O5 (C25 H25 N5 O5)

Compound Name

2-[3,4-dihydro-2(1H)-isoquinolinyl]-N~5~-(2,4-dimethoxyphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-47-dioxo-2-(1234-tetrahydroisoquinolin-2-yl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(C(CC(N1)=O)C(C(N2)=O)=C1N=C2N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C25H25N5O5/c1-34-16-7-8-18(19(11-16)35-2)26-23(32)17-12-20(31)27-22-21(17)24(33)29-25(28-22)30-10-9-14-5-3-4-6-15(14)13-30/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,26,32)(H2,27,28,29,31,33)/t17-/m1/s1

InChI Key

NZMVJPDICTZXJY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD11083336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-2.53

Polar Surface Area

98.825

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 8020-7672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7672?
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What is the minimum amount of 8020-7672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7672
  • 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 8020-7672 available by request