0980-0417 Screening compound: 2-methylpropyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

0980-0417 Screening compound: 2-methylpropyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
0980-0417 Screening compound: 2-methylpropyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0980-0417
2-methylpropyl 4-[4-(dimethylamino)phenyl]-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

0980-0417

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

2-methylpropyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)COC(C(C(c(cc1)ccc1N(C)C)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C18H25N3O3/c1-11(2)10-24-17(22)15-12(3)19-18(23)20-16(15)13-6-8-14(9-7-13)21(4)5/h6-9,11,16H,10H2,1-5H3,(H2,19,20,23)/t16-/m1/s1

InChI Key

CYKQDEKFEZYLIY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00385934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.389

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.96

Polar Surface Area

59.625

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

0980-0417 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0980-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0980-0417?
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What is the minimum amount of 0980-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0980-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0980-0417
  • 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 0980-0417 available by request