E687-0857 Screening compound: (3-cyclopropyl-1H-pyrazol-5-yl)[4-(3,4-dimethoxybenzoyl)piperazino]methanone

E687-0857 Screening compound: (3-cyclopropyl-1H-pyrazol-5-yl)[4-(3,4-dimethoxybenzoyl)piperazino]methanone
E687-0857 Screening compound: (3-cyclopropyl-1H-pyrazol-5-yl)[4-(3,4-dimethoxybenzoyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0857
(3-cyclopropyl-1H-pyrazol-5-yl)[4-(3,4-dimethoxybenzoyl)piperazino]methanone

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

E687-0857

Molecular Formula

C20H24N4O4 (C20 H24 N4 O4)

Compound Name

(3-cyclopropyl-1H-pyrazol-5-yl)[4-(3,4-dimethoxybenzoyl)piperazino]methanone

IUPAC name

1-(3-cyclopropyl-1H-pyrazole-5-carbonyl)-4-(34-dimethoxybenzoyl)piperazine

SMILES

COc(ccc(C(N(CC1)CCN1C(c1cc(C2CC2)n[nH]1)=O)=O)c1)c1OC

InChI

InChI=1S/C20H24N4O4/c1-27-17-6-5-14(11-18(17)28-2)19(25)23-7-9-24(10-8-23)20(26)16-12-15(21-22-16)13-3-4-13/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,21,22)

InChI Key

UBMDWVXVSCQTEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.434

Distribution Coefficient, logD

1.433

Water Solubility, LogSw

-2.08

Polar Surface Area

71.617

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E687-0857 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E687-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0857?
Check Price and Availability of E687-0857, 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 E687-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0857
  • 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 E687-0857 available by request