3637-0092 Screening compound: 2-methoxy-4-[(E)-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]imino}methyl]phenyl N,N-dimethylcarbamate

3637-0092 Screening compound: 2-methoxy-4-[(E)-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]imino}methyl]phenyl N,N-dimethylcarbamate
3637-0092 Screening compound: 2-methoxy-4-[(E)-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]imino}methyl]phenyl N,N-dimethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3637-0092
2-methoxy-4-[(E)-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]imino}methyl]phenyl N,N-dimethylcarbamate

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

3637-0092

Molecular Formula

C17H20N6O6 (C17 H20 N6 O6)

Compound Name

2-methoxy-4-[(E)-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]imino}methyl]phenyl N,N-dimethylcarbamate

IUPAC name

2-methoxy-4-[(E)-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]imino}methyl]phenyl NN-dimethylcarbamate

SMILES

Cc(n1CC(N/N=C/c(cc2)cc(OC)c2OC(N(C)C)=O)=O)ncc1[N+]([O-])=O

InChI

InChI=1S/C17H20N6O6/c1-11-18-9-16(23(26)27)22(11)10-15(24)20-19-8-12-5-6-13(14(7-12)28-4)29-17(25)21(2)3/h5-9H,10H2,1-4H3,(H,20,24)

InChI Key

SRPXLORCXWQEQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.681

Distribution Coefficient, logD

0.681

Water Solubility, LogSw

-2.20

Polar Surface Area

109.728

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3637-0092 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3637-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3637-0092?
Check Price and Availability of 3637-0092, 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 3637-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3637-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3637-0092
  • 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 3637-0092 available by request