3228-0029 Screening compound: ethyl 3-[(E)-[(dimethylamino)methylidene]amino]-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

3228-0029 Screening compound: ethyl 3-[(E)-[(dimethylamino)methylidene]amino]-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
3228-0029 Screening compound: ethyl 3-[(E)-[(dimethylamino)methylidene]amino]-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0029
ethyl 3-[(E)-[(dimethylamino)methylidene]amino]-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-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

3228-0029

Molecular Formula

C14H17N5O4 (C14 H17 N5 O4)

Compound Name

ethyl 3-[(E)-[(dimethylamino)methylidene]amino]-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

IUPAC name

ethyl 3-[(E)-[(dimethylamino)methylidene]amino]-1-methyl-5-nitro-1H-pyrrolo[23-b]pyridine-2-carboxylate

SMILES

CCOC(c(n(C)c(c1c2)ncc2[N+]([O-])=O)c1/N=C/N(C)C)=O

InChI

InChI=1S/C14H17N5O4/c1-5-23-14(20)12-11(16-8-17(2)3)10-6-9(19(21)22)7-15-13(10)18(12)4/h6-8H,5H2,1-4H3

InChI Key

QYWIWLBZTHXNOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.802

Distribution Coefficient, logD

0.802

Water Solubility, LogSw

-1.56

Polar Surface Area

75.531

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

3228-0029 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3228-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0029?
Check Price and Availability of 3228-0029, 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 3228-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0029
  • 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 3228-0029 available by request