8005-3547 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}propanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxopropan-2-yl}carbamate

8005-3547 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}propanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxopropan-2-yl}carbamate
8005-3547 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}propanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxopropan-2-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3547
benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}propanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxopropan-2-yl}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

8005-3547

Molecular Formula

C34H48N4O10 (C34 H48 N4 O10)

Compound Name

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

IUPAC name

benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}propanoyl)-141013-tetraoxa-716-diazacyclooctadecan-7-yl]-1-oxopropan-2-yl}carbamate

SMILES

CC(C(N(CCOCCOCC1)CCOCCOCCN1C(C(C)NC(OCc1ccccc1)=O)=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C34H48N4O10/c1-27(35-33(41)47-25-29-9-5-3-6-10-29)31(39)37-13-17-43-21-23-45-19-15-38(16-20-46-24-22-44-18-14-37)32(40)28(2)36-34(42)48-26-30-11-7-4-8-12-30/h3-12,27-28H,13-26H2,1-2H3,(H,35,41)(H,36,42)

InChI Key

OOCCZEZZWORAQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00196052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

672.78

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

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.49

Polar Surface Area

129.917

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 8005-3547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3547?
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What is the minimum amount of 8005-3547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3547
  • 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 8005-3547 available by request