1278-0044 Screening compound: 1-(13-acetyl-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-2-yl)-1-ethanone

1278-0044 Screening compound: 1-(13-acetyl-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-2-yl)-1-ethanone
1278-0044 Screening compound: 1-(13-acetyl-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-2-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1278-0044
1-(13-acetyl-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-2-yl)-1-ethanone

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

1278-0044

Molecular Formula

C22H24O7 (C22 H24 O7)

Compound Name

1-(13-acetyl-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecin-2-yl)-1-ethanone

IUPAC name

1-{22-acetyl-25121518-pentaoxatricyclo[17.4.0.0^{611}]tricosa-1(19)6(11)792022-hexaen-9-yl}ethan-1-one

SMILES

CC(c(cc1)cc2c1OCCOc(cc(cc1)C(C)=O)c1OCCOCCO2)=O

InChI

InChI=1S/C22H24O7/c1-15(23)17-4-6-20-21(13-17)28-10-8-25-7-9-26-19-5-3-18(16(2)24)14-22(19)29-12-11-27-20/h3-6,13-14H,7-12H2,1-2H3

InChI Key

QVAUTWBYHYGNIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01366238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.972

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-1.78

Polar Surface Area

67.586

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 1278-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1278-0044?
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What is the minimum amount of 1278-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1278-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1278-0044
  • 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 1278-0044 available by request