1258-0023 Screening compound: 2-(acetyloxy)-1,2-bis({[2-(acetyloxy)ethyl]carbamoyl})ethyl acetate

1258-0023 Screening compound: 2-(acetyloxy)-1,2-bis({[2-(acetyloxy)ethyl]carbamoyl})ethyl acetate
1258-0023 Screening compound: 2-(acetyloxy)-1,2-bis({[2-(acetyloxy)ethyl]carbamoyl})ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1258-0023
2-(acetyloxy)-1,2-bis({[2-(acetyloxy)ethyl]carbamoyl})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

1258-0023

Molecular Formula

C16H24N2O10 (C16 H24 N2 O10)

Compound Name

2-(acetyloxy)-1,2-bis({[2-(acetyloxy)ethyl]carbamoyl})ethyl acetate

IUPAC name

2-(acetyloxy)-12-bis({[2-(acetyloxy)ethyl]carbamoyl})ethyl acetate

SMILES

CC(OCCNC(C(C(C(NCCOC(C)=O)=O)OC(C)=O)OC(C)=O)=O)=O

InChI

InChI=1S/C16H24N2O10/c1-9(19)25-7-5-17-15(23)13(27-11(3)21)14(28-12(4)22)16(24)18-6-8-26-10(2)20/h13-14H,5-8H2,1-4H3,(H,17,23)(H,18,24)

InChI Key

PTBRHFWHXFISEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.37

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-1.696

Distribution Coefficient, logD

-1.696

Water Solubility, LogSw

-0.43

Polar Surface Area

132.876

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

1258-0023 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1258-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1258-0023?
Check Price and Availability of 1258-0023, 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 1258-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1258-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1258-0023
  • 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 1258-0023 available by request