8008-9902 Screening compound: cyclohexylmethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8008-9902 Screening compound: cyclohexylmethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8008-9902 Screening compound: cyclohexylmethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9902
cyclohexylmethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8008-9902

Molecular Formula

C21H28N2O5 (C21 H28 N2 O5)

Compound Name

cyclohexylmethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

cyclohexylmethyl 4-(34-dimethoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)cc(OC)c2OC)=O)=C1C(OCC1CCCCC1)=O

InChI

InChI=1S/C21H28N2O5/c1-13-18(20(24)28-12-14-7-5-4-6-8-14)19(23-21(25)22-13)15-9-10-16(26-2)17(11-15)27-3/h9-11,14,19H,4-8,12H2,1-3H3,(H2,22,23,25)/t19-/m1/s1

InChI Key

NXIFAGSMRPHYTK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01192418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.983

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.37

Polar Surface Area

72.002

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

8008-9902 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-9902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9902?
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What is the minimum amount of 8008-9902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9902
  • 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 8008-9902 available by request