0827-0407 Screening compound: ethyl 5-{3,4-bis[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate

0827-0407 Screening compound: ethyl 5-{3,4-bis[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate
0827-0407 Screening compound: ethyl 5-{3,4-bis[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0827-0407
ethyl 5-{3,4-bis[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate

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

0827-0407

Molecular Formula

C15H26N2O6S (C15 H26 N2 O6 S)

Compound Name

ethyl 5-{3,4-bis[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate

IUPAC name

ethyl 5-{34-bis[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate

SMILES

CCOC(CCCCC(C1NC(OC)=O)SCC1NC(OC)=O)=O

InChI

InChI=1S/C15H26N2O6S/c1-4-23-12(18)8-6-5-7-11-13(17-15(20)22-3)10(9-24-11)16-14(19)21-2/h10-11,13H,4-9H2,1-3H3,(H,16,19)(H,17,20)

InChI Key

GKCWBSANFAZKKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.773

Distribution Coefficient, logD

1.773

Water Solubility, LogSw

-2.00

Polar Surface Area

87.564

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

80.00

0827-0407 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 0827-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0827-0407?
Check Price and Availability of 0827-0407, 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 0827-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0827-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0827-0407
  • 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 0827-0407 available by request