3404-5434 Screening compound: 2-(methylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3404-5434 Screening compound: 2-(methylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3404-5434 Screening compound: 2-(methylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3404-5434
2-(methylsulfanyl)ethyl 6-methyl-4-(3-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

3404-5434

Molecular Formula

C15H17N3O5S (C15 H17 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c2cc([N+]([O-])=O)ccc2)=O)=C1C(OCCSC)=O

InChI

InChI=1S/C15H17N3O5S/c1-9-12(14(19)23-6-7-24-2)13(17-15(20)16-9)10-4-3-5-11(8-10)18(21)22/h3-5,8,13H,6-7H2,1-2H3,(H2,16,17,20)/t13-/m0/s1

InChI Key

BQZKWQTYBUIYCJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01193037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.581

Distribution Coefficient, logD

1.430

Water Solubility, LogSw

-2.59

Polar Surface Area

90.121

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3404-5434 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3404-5434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3404-5434?
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What is the minimum amount of 3404-5434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3404-5434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3404-5434
  • 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 3404-5434 available by request