3455-1139 Screening compound: 1-[3,4,5-tris(acetyloxy)-2-(1-methyl-4-propylpyrrolidine-2-amido)-6-(methylsulfanyl)oxan-2-yl]ethyl acetate

3455-1139 Screening compound: 1-[3,4,5-tris(acetyloxy)-2-(1-methyl-4-propylpyrrolidine-2-amido)-6-(methylsulfanyl)oxan-2-yl]ethyl acetate
3455-1139 Screening compound: 1-[3,4,5-tris(acetyloxy)-2-(1-methyl-4-propylpyrrolidine-2-amido)-6-(methylsulfanyl)oxan-2-yl]ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-1139
1-[3,4,5-tris(acetyloxy)-2-(1-methyl-4-propylpyrrolidine-2-amido)-6-(methylsulfanyl)oxan-2-yl]ethyl 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

3455-1139

Molecular Formula

C25H40N2O10S (C25 H40 N2 O10 S)

Compound Name

1-[3,4,5-tris(acetyloxy)-2-(1-methyl-4-propylpyrrolidine-2-amido)-6-(methylsulfanyl)oxan-2-yl]ethyl acetate

IUPAC name

1-[345-tris(acetyloxy)-2-(1-methyl-4-propylpyrrolidine-2-amido)-6-(methylsulfanyl)oxan-2-yl]ethyl acetate

SMILES

CCCC(C1)CN(C)C1C(NC(C(C)OC(C)=O)(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)OC1SC)=O

InChI

InChI=1S/C25H40N2O10S/c1-9-10-18-11-19(27(7)12-18)23(32)26-25(13(2)33-14(3)28)22(36-17(6)31)20(34-15(4)29)21(35-16(5)30)24(37-25)38-8/h13,18-22,24H,9-12H2,1-8H3,(H,26,32)

InChI Key

DARVXQDVSMWTSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.67

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.893

Distribution Coefficient, logD

0.112

Water Solubility, LogSw

-2.47

Polar Surface Area

117.415

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

80.00

3455-1139 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3455-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-1139?
Check Price and Availability of 3455-1139, 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 3455-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-1139
  • 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 3455-1139 available by request