K061-1112 Screening compound: ethyl 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetate

K061-1112 Screening compound: ethyl 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetate
K061-1112 Screening compound: ethyl 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-1112
ethyl 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetate

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

K061-1112

Molecular Formula

C8H10BrN3O4 (C8 H10 BrN3 O4)

Compound Name

ethyl 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetate

IUPAC name

ethyl 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetate

SMILES

CCOC(Cn(c(C)c1Br)nc1[N+]([O-])=O)=O

InChI

InChI=1S/C8H10BrN3O4/c1-3-16-6(13)4-11-5(2)7(9)8(10-11)12(14)15/h3-4H2,1-2H3

InChI Key

OZTZXCSOJKMYDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.09

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

1.220

Distribution Coefficient, logD

1.220

Water Solubility, LogSw

-1.02

Polar Surface Area

67.688

Acid Dissociation Constant (pKa)

24.60

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K061-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-1112?
Check Price and Availability of K061-1112, 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 K061-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-1112
  • 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 K061-1112 available by request