1051-0238 Screening compound: ethyl 2-{16-[2-(ethoxycarbonyl)benzoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carbonyl}benzoate

1051-0238 Screening compound: ethyl 2-{16-[2-(ethoxycarbonyl)benzoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carbonyl}benzoate
1051-0238 Screening compound: ethyl 2-{16-[2-(ethoxycarbonyl)benzoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carbonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1051-0238
ethyl 2-{16-[2-(ethoxycarbonyl)benzoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carbonyl}benzoate

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

1051-0238

Molecular Formula

C32H42N2O10 (C32 H42 N2 O10)

Compound Name

ethyl 2-{16-[2-(ethoxycarbonyl)benzoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carbonyl}benzoate

IUPAC name

ethyl 2-{16-[2-(ethoxycarbonyl)benzoyl]-141013-tetraoxa-716-diazacyclooctadecane-7-carbonyl}benzoate

SMILES

CCOC(c(cccc1)c1C(N(CCOCCOCC1)CCOCCOCCN1C(c(cccc1)c1C(OCC)=O)=O)=O)=O

InChI

InChI=1S/C32H42N2O10/c1-3-43-31(37)27-11-7-5-9-25(27)29(35)33-13-17-39-21-23-41-19-15-34(16-20-42-24-22-40-18-14-33)30(36)26-10-6-8-12-28(26)32(38)44-4-2/h5-12H,3-4,13-24H2,1-2H3

InChI Key

RHQYQPGMTBVRFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00312076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.69

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.874

Distribution Coefficient, logD

1.874

Water Solubility, LogSw

-2.38

Polar Surface Area

106.815

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1051-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1051-0238?
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What is the minimum amount of 1051-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1051-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1051-0238
  • 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 1051-0238 available by request