3615-0370 Screening compound: 6-[(1E)-2-[5-(4-chloro-2,5-dimethoxyphenyl)furan-2-yl]ethenyl]-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione

3615-0370 Screening compound: 6-[(1E)-2-[5-(4-chloro-2,5-dimethoxyphenyl)furan-2-yl]ethenyl]-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione
3615-0370 Screening compound: 6-[(1E)-2-[5-(4-chloro-2,5-dimethoxyphenyl)furan-2-yl]ethenyl]-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0370
6-[(1E)-2-[5-(4-chloro-2,5-dimethoxyphenyl)furan-2-yl]ethenyl]-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

3615-0370

Molecular Formula

C18H14ClN3O7 (C18 H14 ClN3 O7)

Compound Name

6-[(1E)-2-[5-(4-chloro-2,5-dimethoxyphenyl)furan-2-yl]ethenyl]-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-[(1E)-2-[5-(4-chloro-25-dimethoxyphenyl)furan-2-yl]ethenyl]-5-nitro-1234-tetrahydropyrimidine-24-dione

SMILES

COc(c(-c1ccc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)o1)c1)cc(Cl)c1OC

InChI

InChI=1S/C18H14ClN3O7/c1-27-14-8-11(19)15(28-2)7-10(14)13-6-4-9(29-13)3-5-12-16(22(25)26)17(23)21-18(24)20-12/h3-8H,1-2H3,(H2,20,21,23,24)

InChI Key

OVHKEVPZSOLSIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02916873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.78

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

0.502

Water Solubility, LogSw

-4.09

Polar Surface Area

105.238

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

-6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3615-0370 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3615-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0370?
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What is the minimum amount of 3615-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0370
  • 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 3615-0370 available by request