8008-8549 Screening compound: cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8008-8549 Screening compound: cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8008-8549 Screening compound: cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8549
cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-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

8008-8549

Molecular Formula

C22H30N2O5 (C22 H30 N2 O5)

Compound Name

cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCOc(ccc(C(C(C(OC1CCCCC1)=O)=C(C)N1)NC1=O)c1)c1OC

InChI

InChI=1S/C22H30N2O5/c1-4-12-28-17-11-10-15(13-18(17)27-3)20-19(14(2)23-22(26)24-20)21(25)29-16-8-6-5-7-9-16/h10-11,13,16,20H,4-9,12H2,1-3H3,(H2,23,24,26)/t20-/m1/s1

InChI Key

GLYGYSYYNZWBQD-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-3.90

Polar Surface Area

70.910

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with 8008-8549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8549?
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What is the minimum amount of 8008-8549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8549
  • 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 8008-8549 available by request