4568-7269 Screening compound: butan-2-yl 4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4568-7269 Screening compound: butan-2-yl 4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4568-7269 Screening compound: butan-2-yl 4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4568-7269
butan-2-yl 4-(3-bromo-4-fluorophenyl)-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

4568-7269

Molecular Formula

C16H18BrFN2O3 (C16 H18 BrFN2 O3)

Compound Name

butan-2-yl 4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

butan-2-yl 4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCC(C)OC(C(C(c(cc1)cc(Br)c1F)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C16H18BrFN2O3/c1-4-8(2)23-15(21)13-9(3)19-16(22)20-14(13)10-5-6-12(18)11(17)7-10/h5-8,14H,4H2,1-3H3,(H2,19,20,22)

InChI Key

QMKGXOCLUQKRDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.59

Polar Surface Area

56.007

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

4568-7269 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4568-7269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4568-7269?
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What is the minimum amount of 4568-7269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4568-7269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4568-7269
  • 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 4568-7269 available by request