2280-6733 Screening compound: ethyl 4-(3-nitrophenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2280-6733 Screening compound: ethyl 4-(3-nitrophenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2280-6733 Screening compound: ethyl 4-(3-nitrophenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2280-6733
ethyl 4-(3-nitrophenyl)-2-oxo-6-phenyl-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

2280-6733

Molecular Formula

C19H17N3O5 (C19 H17 N3 O5)

Compound Name

ethyl 4-(3-nitrophenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(3-nitrophenyl)-2-oxo-6-phenyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccc([N+]([O-])=O)c1)N1)=C(c2ccccc2)NC1=O)=O

InChI

InChI=1S/C19H17N3O5/c1-2-27-18(23)15-16(12-7-4-3-5-8-12)20-19(24)21-17(15)13-9-6-10-14(11-13)22(25)26/h3-11,17H,2H2,1H3,(H2,20,21,24)/t17-/m0/s1

InChI Key

MOTQRVGPHVHLKA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00551861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

1.728

Water Solubility, LogSw

-3.44

Polar Surface Area

90.056

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 2280-6733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2280-6733?
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What is the minimum amount of 2280-6733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2280-6733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2280-6733
  • 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 2280-6733 available by request