E687-0336 Screening compound: 1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-(propane-1-sulfonyl)piperazine

E687-0336 Screening compound: 1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-(propane-1-sulfonyl)piperazine
E687-0336 Screening compound: 1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-(propane-1-sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0336
1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-(propane-1-sulfonyl)piperazine

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

E687-0336

Molecular Formula

C17H21BrN4O3S (C17 H21 BrN4 O3 S)

Compound Name

1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-(propane-1-sulfonyl)piperazine

IUPAC name

1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-(propane-1-sulfonyl)piperazine

SMILES

CCCS(N(CC1)CCN1C(c1cc(-c(cc2)ccc2Br)n[nH]1)=O)(=O)=O

InChI

InChI=1S/C17H21BrN4O3S/c1-2-11-26(24,25)22-9-7-21(8-10-22)17(23)16-12-15(19-20-16)13-3-5-14(18)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,19,20)

InChI Key

ISSQNRSNBMDMBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.49

Polar Surface Area

71.061

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with E687-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0336?
Check Price and Availability of E687-0336, 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 E687-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0336
  • 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 E687-0336 available by request