8016-7014 Screening compound: ethyl 4-[2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoate

8016-7014 Screening compound: ethyl 4-[2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoate
8016-7014 Screening compound: ethyl 4-[2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7014
ethyl 4-[2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetamido]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

8016-7014

Molecular Formula

C15H15N5O6 (C15 H15 N5 O6)

Compound Name

ethyl 4-[2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn1nc(C(N)=O)c([N+]([O-])=O)c1)=O)=O

InChI

InChI=1S/C15H15N5O6/c1-2-26-15(23)9-3-5-10(6-4-9)17-12(21)8-19-7-11(20(24)25)13(18-19)14(16)22/h3-7H,2,8H2,1H3,(H2,16,22)(H,17,21)

InChI Key

FWBZVOGEVVRMCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.169

Distribution Coefficient, logD

1.169

Water Solubility, LogSw

-2.39

Polar Surface Area

126.333

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8016-7014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7014?
Check Price and Availability of 8016-7014, 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 8016-7014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7014
  • 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 8016-7014 available by request