8010-3334 Screening compound: {[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

8010-3334 Screening compound: {[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
8010-3334 Screening compound: {[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3334
{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl 4-bromo-1-methyl-1H-pyrazole-3-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

8010-3334

Molecular Formula

C14H10BrClF3N3O3 (C14 H10 BrClF3 N3 O3)

Compound Name

{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

IUPAC name

{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

SMILES

Cn1nc(C(OCC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)=O)c(Br)c1

InChI

InChI=1S/C14H10BrClF3N3O3/c1-22-5-8(15)12(21-22)13(24)25-6-11(23)20-10-4-7(14(17,18)19)2-3-9(10)16/h2-5H,6H2,1H3,(H,20,23)

InChI Key

ILKBJUYYSVCFKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.54

Polar Surface Area

58.903

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8010-3334 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-3334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3334?
Check Price and Availability of 8010-3334, 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 8010-3334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3334
  • 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 8010-3334 available by request