K504-2309 Screening compound: methyl 2-bromo-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate

K504-2309 Screening compound: methyl 2-bromo-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
K504-2309 Screening compound: methyl 2-bromo-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K504-2309
methyl 2-bromo-4-[2-(5-methyl-3-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

K504-2309

Molecular Formula

C14H13BrN4O5 (C14 H13 BrN4 O5)

Compound Name

methyl 2-bromo-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate

IUPAC name

methyl 2-bromo-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate

SMILES

Cc1cc([N+]([O-])=O)nn1CC(Nc(cc1)cc(Br)c1C(OC)=O)=O

InChI

InChI=1S/C14H13BrN4O5/c1-8-5-12(19(22)23)17-18(8)7-13(20)16-9-3-4-10(11(15)6-9)14(21)24-2/h3-6H,7H2,1-2H3,(H,16,20)

InChI Key

NNAONKHPFWPMDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.018

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-2.95

Polar Surface Area

91.336

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K504-2309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K504-2309?
Check Price and Availability of K504-2309, 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 K504-2309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K504-2309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K504-2309
  • 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 K504-2309 available by request