C181-0754 Screening compound: N-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)oxolane-2-carboxamide

C181-0754 Screening compound: N-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)oxolane-2-carboxamide
C181-0754 Screening compound: N-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C181-0754
N-(4-{[2-(3,4-dimethoxyphenyl)ethyl]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

C181-0754

Molecular Formula

C22H26N2O5 (C22 H26 N2 O5)

Compound Name

N-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)oxolane-2-carboxamide

IUPAC name

N-(4-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}phenyl)oxolane-2-carboxamide

SMILES

COc(ccc(CCNC(c(cc1)ccc1NC(C1OCCC1)=O)=O)c1)c1OC

InChI

InChI=1S/C22H26N2O5/c1-27-18-10-5-15(14-20(18)28-2)11-12-23-21(25)16-6-8-17(9-7-16)24-22(26)19-4-3-13-29-19/h5-10,14,19H,3-4,11-13H2,1-2H3,(H,23,25)(H,24,26)/t19-/m0/s1

InChI Key

ZREVFQGNAUOCMA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14724163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.461

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-2.00

Polar Surface Area

71.257

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C181-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C181-0754?
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What is the minimum amount of C181-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C181-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C181-0754
  • 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 C181-0754 available by request