2187-1958 Screening compound: isopropyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

2187-1958 Screening compound: isopropyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
2187-1958 Screening compound: isopropyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-1958
isopropyl 4-(2-fluorophenyl)-1,6-dimethyl-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

2187-1958

Molecular Formula

C16H19FN2O3 (C16 H19 FN2 O3)

Compound Name

isopropyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

propan-2-yl 4-(2-fluorophenyl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c(cccc1)c1F)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C16H19FN2O3/c1-9(2)22-15(20)13-10(3)19(4)16(21)18-14(13)11-7-5-6-8-12(11)17/h5-9,14H,1-4H3,(H,18,21)/t14-/m0/s1

InChI Key

JDMMZVNJONLJLA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00548102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.00

Polar Surface Area

48.108

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

2187-1958 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 2187-1958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-1958?
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What is the minimum amount of 2187-1958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-1958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-1958
  • 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 2187-1958 available by request