K781-1318 Screening compound: methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate

K781-1318 Screening compound: methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate
K781-1318 Screening compound: methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1318
methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-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

K781-1318

Molecular Formula

C12H10BrN3O3 (C12 H10 BrN3 O3)

Compound Name

methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate

IUPAC name

methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate

SMILES

COC(c1c(N)n(C(c(cccc2)c2Br)=O)nc1)=O

InChI

InChI=1S/C12H10BrN3O3/c1-19-12(18)8-6-15-16(10(8)14)11(17)7-4-2-3-5-9(7)13/h2-6H,14H2,1H3

InChI Key

BNRCUHBPRIQXSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.556

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-2.06

Polar Surface Area

67.924

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

K781-1318 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K781-1318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1318?
Check Price and Availability of K781-1318, 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 K781-1318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1318
  • 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 K781-1318 available by request