1670-1776 Screening compound: ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1670-1776 Screening compound: ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1670-1776 Screening compound: ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1670-1776
ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-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

1670-1776

Molecular Formula

C16H17BrN2O5 (C16 H17 BrN2 O5)

Compound Name

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

IUPAC name

ethyl 4-(6-bromo-2H-13-benzodioxol-5-yl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1OCOc1c1)c1Br)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C16H17BrN2O5/c1-4-22-15(20)13-8(2)19(3)16(21)18-14(13)9-5-11-12(6-10(9)17)24-7-23-11/h5-6,14H,4,7H2,1-3H3,(H,18,21)/t14-/m0/s1

InChI Key

PUPUGFQHKXCTGO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00718133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.476

Water Solubility, LogSw

-2.73

Polar Surface Area

65.544

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

1670-1776 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 1670-1776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1670-1776?
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What is the minimum amount of 1670-1776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1670-1776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1670-1776
  • 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 1670-1776 available by request