1051-0133 Screening compound: benzyl 4-{16-[4-(benzyloxy)-4-oxobutanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-4-oxobutanoate

1051-0133 Screening compound: benzyl 4-{16-[4-(benzyloxy)-4-oxobutanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-4-oxobutanoate
1051-0133 Screening compound: benzyl 4-{16-[4-(benzyloxy)-4-oxobutanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1051-0133
benzyl 4-{16-[4-(benzyloxy)-4-oxobutanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-4-oxobutanoate

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

1051-0133

Molecular Formula

C34H46N2O10 (C34 H46 N2 O10)

Compound Name

benzyl 4-{16-[4-(benzyloxy)-4-oxobutanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-4-oxobutanoate

IUPAC name

benzyl 4-{16-[4-(benzyloxy)-4-oxobutanoyl]-141013-tetraoxa-716-diazacyclooctadecan-7-yl}-4-oxobutanoate

SMILES

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

InChI

InChI=1S/C34H46N2O10/c37-31(11-13-33(39)45-27-29-7-3-1-4-8-29)35-15-19-41-23-25-43-21-17-36(18-22-44-26-24-42-20-16-35)32(38)12-14-34(40)46-28-30-9-5-2-6-10-30/h1-10H,11-28H2

InChI Key

BRSBMZRYZCDIQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00301925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

642.75

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.836

Distribution Coefficient, logD

1.836

Water Solubility, LogSw

-1.61

Polar Surface Area

105.322

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 1051-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1051-0133?
Check Price and Availability of 1051-0133, 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 1051-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1051-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1051-0133
  • 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 1051-0133 available by request