0242-0427 Screening compound: benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}acetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-2-oxoethyl}carbamate

0242-0427 Screening compound: benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}acetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-2-oxoethyl}carbamate
0242-0427 Screening compound: benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}acetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-2-oxoethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0427
benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}acetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-2-oxoethyl}carbamate

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

0242-0427

Molecular Formula

C32H44N4O10 (C32 H44 N4 O10)

Compound Name

benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}acetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-2-oxoethyl}carbamate

IUPAC name

benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}acetyl)-141013-tetraoxa-716-diazacyclooctadecan-7-yl]-2-oxoethyl}carbamate

SMILES

O=C(CNC(OCc1ccccc1)=O)N(CCOCCOCC1)CCOCCOCCN1C(CNC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C32H44N4O10/c37-29(23-33-31(39)45-25-27-7-3-1-4-8-27)35-11-15-41-19-21-43-17-13-36(14-18-44-22-20-42-16-12-35)30(38)24-34-32(40)46-26-28-9-5-2-6-10-28/h1-10H,11-26H2,(H,33,39)(H,34,40)

InChI Key

UCNUZDQKESBVEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00189324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.72

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.284

Distribution Coefficient, logD

1.284

Water Solubility, LogSw

-1.47

Polar Surface Area

130.536

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0242-0427 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0242-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0427?
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What is the minimum amount of 0242-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0427
  • 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 0242-0427 available by request