G851-0564 Screening compound: ethyl 3-(1-methyl-4-nitro-1H-pyrrole-2-amido)benzoate

G851-0564 Screening compound: ethyl 3-(1-methyl-4-nitro-1H-pyrrole-2-amido)benzoate
G851-0564 Screening compound: ethyl 3-(1-methyl-4-nitro-1H-pyrrole-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0564
ethyl 3-(1-methyl-4-nitro-1H-pyrrole-2-amido)benzoate

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

G851-0564

Molecular Formula

C15H15N3O5 (C15 H15 N3 O5)

Compound Name

ethyl 3-(1-methyl-4-nitro-1H-pyrrole-2-amido)benzoate

IUPAC name

ethyl 3-(1-methyl-4-nitro-1H-pyrrole-2-amido)benzoate

SMILES

CCOC(c1cccc(NC(c2cc([N+]([O-])=O)cn2C)=O)c1)=O

InChI

InChI=1S/C15H15N3O5/c1-3-23-15(20)10-5-4-6-11(7-10)16-14(19)13-8-12(18(21)22)9-17(13)2/h4-9H,3H2,1-2H3,(H,16,19)

InChI Key

HDHKQEIPVCEOCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.32

Polar Surface Area

79.775

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G851-0564 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G851-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0564?
Check Price and Availability of G851-0564, 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 G851-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0564
  • 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 G851-0564 available by request