1419-0046 Screening compound: methyl 2-{[3-(acetyloxy)-2-[(acetyloxy)methyl]-6-(decyloxy)-5-acetamidooxan-4-yl]oxy}acetate

1419-0046 Screening compound: methyl 2-{[3-(acetyloxy)-2-[(acetyloxy)methyl]-6-(decyloxy)-5-acetamidooxan-4-yl]oxy}acetate
1419-0046 Screening compound: methyl 2-{[3-(acetyloxy)-2-[(acetyloxy)methyl]-6-(decyloxy)-5-acetamidooxan-4-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1419-0046
methyl 2-{[3-(acetyloxy)-2-[(acetyloxy)methyl]-6-(decyloxy)-5-acetamidooxan-4-yl]oxy}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

1419-0046

Molecular Formula

C25H43NO10 (C25 H43 NO10)

Compound Name

methyl 2-{[3-(acetyloxy)-2-[(acetyloxy)methyl]-6-(decyloxy)-5-acetamidooxan-4-yl]oxy}acetate

IUPAC name

methyl 2-{[3-(acetyloxy)-2-[(acetyloxy)methyl]-6-(decyloxy)-5-acetamidooxan-4-yl]oxy}acetate

SMILES

CCCCCCCCCCOC(C(C1OCC(OC)=O)NC(C)=O)OC(COC(C)=O)C1OC(C)=O

InChI

InChI=1S/C25H43NO10/c1-6-7-8-9-10-11-12-13-14-32-25-22(26-17(2)27)24(34-16-21(30)31-5)23(35-19(4)29)20(36-25)15-33-18(3)28/h20,22-25H,6-16H2,1-5H3,(H,26,27)

InChI Key

OCKSWIMTTYRVGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.62

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.46

Polar Surface Area

110.880

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

84.00

1419-0046 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1419-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1419-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1419-0046
  • 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 1419-0046 available by request