8017-1087 Screening compound: 3-iodobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate

8017-1087 Screening compound: 3-iodobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
8017-1087 Screening compound: 3-iodobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1087
3-iodobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-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

8017-1087

Molecular Formula

C13H12IN3O4 (C13 H12 IN3 O4)

Compound Name

3-iodobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate

IUPAC name

(3-iodophenyl)methyl 12-dimethyl-4-nitro-1H-imidazole-5-carboxylate

SMILES

Cc1nc([N+]([O-])=O)c(C(OCc2cccc(I)c2)=O)n1C

InChI

InChI=1S/C13H12IN3O4/c1-8-15-12(17(19)20)11(16(8)2)13(18)21-7-9-4-3-5-10(14)6-9/h3-6H,7H2,1-2H3

InChI Key

PZSRIXFFLPDDFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-2.71

Polar Surface Area

65.738

Acid Dissociation Constant (pKa)

25.66

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8017-1087 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1087?
Check Price and Availability of 8017-1087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1087
  • 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 8017-1087 available by request