C181-1006 Screening compound: N-[4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]oxolane-2-carboxamide

C181-1006 Screening compound: N-[4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]oxolane-2-carboxamide
C181-1006 Screening compound: N-[4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C181-1006
N-[4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]oxolane-2-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

C181-1006

Molecular Formula

C26H34N4O4 (C26 H34 N4 O4)

Compound Name

N-[4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]oxolane-2-carboxamide

IUPAC name

N-[4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]oxolane-2-carboxamide

SMILES

COc(cc1)ccc1N1CCN(CCCNC(c(cc2)ccc2NC(C2OCCC2)=O)=O)CC1

InChI

InChI=1S/C26H34N4O4/c1-33-23-11-9-22(10-12-23)30-17-15-29(16-18-30)14-3-13-27-25(31)20-5-7-21(8-6-20)28-26(32)24-4-2-19-34-24/h5-12,24H,2-4,13-19H2,1H3,(H,27,31)(H,28,32)/t24-/m0/s1

InChI Key

RNUXMYDCAPHZOW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14724194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

1.497

Water Solubility, LogSw

-2.66

Polar Surface Area

70.783

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C181-1006 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C181-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C181-1006?
Check Price and Availability of C181-1006, 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 C181-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C181-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C181-1006
  • 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 C181-1006 available by request