4687-0076 Screening compound: ethyl (2Z)-2-{6-bromo-3-nitrosoimidazo[1,2-a]pyridin-2-yl}-2-(methoxyimino)acetate

4687-0076 Screening compound: ethyl (2Z)-2-{6-bromo-3-nitrosoimidazo[1,2-a]pyridin-2-yl}-2-(methoxyimino)acetate
4687-0076 Screening compound: ethyl (2Z)-2-{6-bromo-3-nitrosoimidazo[1,2-a]pyridin-2-yl}-2-(methoxyimino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4687-0076
ethyl (2Z)-2-{6-bromo-3-nitrosoimidazo[1,2-a]pyridin-2-yl}-2-(methoxyimino)acetate

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

4687-0076

Molecular Formula

C12H11BrN4O4 (C12 H11 BrN4 O4)

Compound Name

ethyl (2Z)-2-{6-bromo-3-nitrosoimidazo[1,2-a]pyridin-2-yl}-2-(methoxyimino)acetate

IUPAC name

ethyl (2Z)-2-{6-bromo-3-nitrosoimidazo[12-a]pyridin-2-yl}-2-(methoxyimino)acetate

SMILES

CCOC(/C(/c(nc(cc1)n2cc1Br)c2N=O)=N\OC)=O

InChI

InChI=1S/C12H11BrN4O4/c1-3-21-12(18)10(16-20-2)9-11(15-19)17-6-7(13)4-5-8(17)14-9/h4-6H,3H2,1-2H3

InChI Key

YQJKIYZUSYCDNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01469574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-2.92

Polar Surface Area

75.914

Acid Dissociation Constant (pKa)

29.32

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4687-0076 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 4687-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4687-0076?
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What is the minimum amount of 4687-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4687-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4687-0076
  • 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 4687-0076 available by request