1187-0431 Screening compound: 4-(acetyloxy)-2,5-bis[(triphenylmethoxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(triphenylmethoxy)methyl]oxan-2-yl]oxy}oxolan-3-yl acetate

1187-0431 Screening compound: 4-(acetyloxy)-2,5-bis[(triphenylmethoxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(triphenylmethoxy)methyl]oxan-2-yl]oxy}oxolan-3-yl acetate
1187-0431 Screening compound: 4-(acetyloxy)-2,5-bis[(triphenylmethoxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(triphenylmethoxy)methyl]oxan-2-yl]oxy}oxolan-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0431
4-(acetyloxy)-2,5-bis[(triphenylmethoxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(triphenylmethoxy)methyl]oxan-2-yl]oxy}oxolan-3-yl acetate

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

1187-0431

Molecular Formula

C79H74O16 (C79 H74 O16)

Compound Name

4-(acetyloxy)-2,5-bis[(triphenylmethoxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(triphenylmethoxy)methyl]oxan-2-yl]oxy}oxolan-3-yl acetate

IUPAC name

4-(acetyloxy)-25-bis[(triphenylmethoxy)methyl]-5-{[345-tris(acetyloxy)-6-[(triphenylmethoxy)methyl]oxan-2-yl]oxy}oxolan-3-yl acetate

SMILES

CC(OC(C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(C(C2OC(C)=O)OC(C)=O)OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C2OC(C)=O)C1OC(C)=O)=O

InChI

InChI=1S/C79H74O16/c1-54(80)88-70-68(51-85-77(59-33-15-6-16-34-59,60-35-17-7-18-36-60)61-37-19-8-20-38-61)93-75(73(91-57(4)83)72(70)90-56(3)82)95-76(53-87-79(65-45-27-12-28-46-65,66-47-29-13-30-48-66)67-49-31-14-32-50-67)74(92-58(5)84)71(89-55(2)81)69(94-76)52-86-78(62-39-21-9-22-40-62,63-41-23-10-24-42-63)64-43-25-11-26-44-64/h6-50,68-75H,51-53H2,1-5H3

InChI Key

HTALDDHWVSSMEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01082909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

1279.45

Hydrogen Bond Acceptors Count

21.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

30.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

15.294

Distribution Coefficient, logD

15.294

Water Solubility, LogSw

-6.06

Polar Surface Area

143.419

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

25.30

1187-0431 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1187-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0431?
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What is the minimum amount of 1187-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0431
  • 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 1187-0431 available by request