8015-8275 Screening compound: ethyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8015-8275 Screening compound: ethyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8015-8275 Screening compound: ethyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8275
ethyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)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

8015-8275

Molecular Formula

C22H24IN3O3 (C22 H24 IN3 O3)

Compound Name

ethyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 4-(25-dimethylphenyl)-6-{[(4-iodophenyl)amino]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1c(C)ccc(C)c1)N1)=C(CNc(cc2)ccc2I)NC1=O)=O

InChI

InChI=1S/C22H24IN3O3/c1-4-29-21(27)19-18(12-24-16-9-7-15(23)8-10-16)25-22(28)26-20(19)17-11-13(2)5-6-14(17)3/h5-11,20,24H,4,12H2,1-3H3,(H2,25,26,28)/t20-/m1/s1

InChI Key

JLMGQSBBXOPZHG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD05258687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.026

Water Solubility, LogSw

-5.09

Polar Surface Area

67.287

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

9.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with 8015-8275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8275?
Check Price and Availability of 8015-8275, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-8275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8275
  • 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 8015-8275 available by request