1308-0397 Screening compound: 2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1308-0397 Screening compound: 2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1308-0397 Screening compound: 2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1308-0397
2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-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

1308-0397

Molecular Formula

C17H19BrN2O5S (C17 H19 BrN2 O5 S)

Compound Name

2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-13-benzodioxol-5-yl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCSCCOC(C(C(c(cc1OCOc1c1)c1Br)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C17H19BrN2O5S/c1-3-26-5-4-23-16(21)14-9(2)19-17(22)20-15(14)10-6-12-13(7-11(10)18)25-8-24-12/h6-7,15H,3-5,8H2,1-2H3,(H2,19,20,22)/t15-/m0/s1

InChI Key

UUHWNGLEKGNGRU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00365573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.548

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-2.83

Polar Surface Area

73.855

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

1308-0397 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1308-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1308-0397?
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What is the minimum amount of 1308-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1308-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1308-0397
  • 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 1308-0397 available by request