8017-3466 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate

8017-3466 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
8017-3466 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3466
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-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

8017-3466

Molecular Formula

C16H12N4O8 (C16 H12 N4 O8)

Compound Name

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate

IUPAC name

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate

SMILES

Cc(n1CCOC(C2=Cc(cc(cc3)[N+]([O-])=O)c3OC2=O)=O)ncc1[N+]([O-])=O

InChI

InChI=1S/C16H12N4O8/c1-9-17-8-14(20(25)26)18(9)4-5-27-15(21)12-7-10-6-11(19(23)24)2-3-13(10)28-16(12)22/h2-3,6-8H,4-5H2,1H3

InChI Key

KWLHVYLRAPZUMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.29

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.634

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-1.96

Polar Surface Area

120.018

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 8017-3466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3466?
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What is the minimum amount of 8017-3466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3466
  • 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 8017-3466 available by request