E822-0068 Screening compound: 3-(4-bromophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrazole

E822-0068 Screening compound: 3-(4-bromophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrazole
E822-0068 Screening compound: 3-(4-bromophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E822-0068
3-(4-bromophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrazole

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

E822-0068

Molecular Formula

C14H14BrN3O (C14 H14 BrN3 O)

Compound Name

3-(4-bromophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrazole

IUPAC name

3-(4-bromophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrazole

SMILES

O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N1CCCC1

InChI

InChI=1S/C14H14BrN3O/c15-11-5-3-10(4-6-11)12-9-13(17-16-12)14(19)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2,(H,16,17)

InChI Key

MREFCPYJKPRMJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11735961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.76

Polar Surface Area

39.742

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E822-0068 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E822-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E822-0068?
Check Price and Availability of E822-0068, 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 E822-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E822-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E822-0068
  • 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 E822-0068 available by request