8019-7540 Screening compound: ethyl 6-({1,3-dimethyl-8-[(4-methylphenyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8019-7540 Screening compound: ethyl 6-({1,3-dimethyl-8-[(4-methylphenyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8019-7540 Screening compound: ethyl 6-({1,3-dimethyl-8-[(4-methylphenyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7540
ethyl 6-({1,3-dimethyl-8-[(4-methylphenyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

8019-7540

Molecular Formula

C30H33N7O5 (C30 H33 N7 O5)

Compound Name

ethyl 6-({1,3-dimethyl-8-[(4-methylphenyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-({13-dimethyl-8-[(4-methylphenyl)amino]-26-dioxo-2367-tetrahydro-1H-purin-7-yl}methyl)-1-methyl-4-(4-methylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C)cc1)N1)=C(Cn2c(Nc3ccc(C)cc3)nc(N(C)C(N3C)=O)c2C3=O)N(C)C1=O)=O

InChI

InChI=1S/C30H33N7O5/c1-7-42-27(39)22-21(34(4)29(40)32-23(22)19-12-8-17(2)9-13-19)16-37-24-25(35(5)30(41)36(6)26(24)38)33-28(37)31-20-14-10-18(3)11-15-20/h8-15,23H,7,16H2,1-6H3,(H,31,33)(H,32,40)/t23-/m1/s1

InChI Key

PJQNHUXXVOQIJJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD10039357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.25

Polar Surface Area

102.076

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8019-7540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7540?
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What is the minimum amount of 8019-7540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7540
  • 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 8019-7540 available by request