1965-0033 Screening compound: benzyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1965-0033 Screening compound: benzyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1965-0033 Screening compound: benzyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1965-0033
benzyl 1,6-dimethyl-4-(2-nitrophenyl)-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

1965-0033

Molecular Formula

C20H19N3O5 (C20 H19 N3 O5)

Compound Name

benzyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

benzyl 16-dimethyl-4-(2-nitrophenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c(cccc2)c2[N+]([O-])=O)=O)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C20H19N3O5/c1-13-17(19(24)28-12-14-8-4-3-5-9-14)18(21-20(25)22(13)2)15-10-6-7-11-16(15)23(26)27/h3-11,18H,12H2,1-2H3,(H,21,25)/t18-/m0/s1

InChI Key

GUKLNNOASPYBFV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01122132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.45

Polar Surface Area

81.613

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

1965-0033 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1965-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1965-0033?
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What is the minimum amount of 1965-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1965-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1965-0033
  • 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 1965-0033 available by request