8525-0232 Screening compound: 2-{[(4-chlorophenyl)carbamoyl]methyl}-N-ethyl-3-oxopiperazine-1-carboxamide

8525-0232 Screening compound: 2-{[(4-chlorophenyl)carbamoyl]methyl}-N-ethyl-3-oxopiperazine-1-carboxamide
8525-0232 Screening compound: 2-{[(4-chlorophenyl)carbamoyl]methyl}-N-ethyl-3-oxopiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0232
2-{[(4-chlorophenyl)carbamoyl]methyl}-N-ethyl-3-oxopiperazine-1-carboxamide

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

8525-0232

Molecular Formula

C15H19ClN4O3 (C15 H19 ClN4 O3)

Compound Name

2-{[(4-chlorophenyl)carbamoyl]methyl}-N-ethyl-3-oxopiperazine-1-carboxamide

IUPAC name

2-{[(4-chlorophenyl)carbamoyl]methyl}-N-ethyl-3-oxopiperazine-1-carboxamide

SMILES

CCNC(N(CCN1)C(CC(Nc(cc2)ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C15H19ClN4O3/c1-2-17-15(23)20-8-7-18-14(22)12(20)9-13(21)19-11-5-3-10(16)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,17,23)(H,18,22)(H,19,21)/t12-/m0/s1

InChI Key

BYYGLYLRGLSGGM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD08075691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.133

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-2.69

Polar Surface Area

74.355

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8525-0232 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8525-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0232?
Check Price and Availability of 8525-0232, 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 8525-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0232
  • 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 8525-0232 available by request