E882-1238 Screening compound: 1-cyclohexanecarbonyl-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

E882-1238 Screening compound: 1-cyclohexanecarbonyl-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine
E882-1238 Screening compound: 1-cyclohexanecarbonyl-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1238
1-cyclohexanecarbonyl-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]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

E882-1238

Molecular Formula

C19H24N4O2S (C19 H24 N4 O2 S)

Compound Name

1-cyclohexanecarbonyl-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

IUPAC name

1-cyclohexanecarbonyl-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

SMILES

O=C(C1CCCCC1)N(CC1)CCN1C(c1cc(-c2cccs2)n[nH]1)=O

InChI

InChI=1S/C19H24N4O2S/c24-18(14-5-2-1-3-6-14)22-8-10-23(11-9-22)19(25)16-13-15(20-21-16)17-7-4-12-26-17/h4,7,12-14H,1-3,5-6,8-11H2,(H,20,21)

InChI Key

OLOMAICLSKVOES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.29

Polar Surface Area

57.043

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

E882-1238 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 E882-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1238?
Check Price and Availability of E882-1238, 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 E882-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1238
  • 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 E882-1238 available by request