8003-0103 Screening compound: ethyl 4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8003-0103 Screening compound: ethyl 4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8003-0103 Screening compound: ethyl 4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0103
ethyl 4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-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

8003-0103

Molecular Formula

C18H16ClN3O6 (C18 H16 ClN3 O6)

Compound Name

ethyl 4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(-c(ccc([N+]([O-])=O)c2)c2Cl)o1)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C18H16ClN3O6/c1-3-27-17(23)15-9(2)20-18(24)21-16(15)14-7-6-13(28-14)11-5-4-10(22(25)26)8-12(11)19/h4-8,16H,3H2,1-2H3,(H2,20,21,24)/t16-/m0/s1

InChI Key

LIJXRTANKMRDHA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00742649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.79

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.82

Polar Surface Area

98.226

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8003-0103 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0103?
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What is the minimum amount of 8003-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0103
  • 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 8003-0103 available by request