4912-1039 Screening compound: 2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}oxy)ethyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate

4912-1039 Screening compound: 2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}oxy)ethyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate
4912-1039 Screening compound: 2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}oxy)ethyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-1039
2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}oxy)ethyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate

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

4912-1039

Molecular Formula

C12H20N2O8S2 (C12 H20 N2 O8 S2)

Compound Name

2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}oxy)ethyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate

IUPAC name

2-{[(11-dioxo-1lambda6-thiolan-3-yl)carbamoyl]oxy}ethyl N-(11-dioxo-1lambda6-thiolan-3-yl)carbamate

SMILES

O=C(NC(CC1)CS1(=O)=O)OCCOC(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C12H20N2O8S2/c15-11(13-9-1-5-23(17,18)7-9)21-3-4-22-12(16)14-10-2-6-24(19,20)8-10/h9-10H,1-8H2,(H,13,15)(H,14,16)

InChI Key

PXXCTNDLYZCAFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00385557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.339

Distribution Coefficient, logD

-1.339

Water Solubility, LogSw

-1.32

Polar Surface Area

122.412

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

83.30

4912-1039 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 4912-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-1039?
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What is the minimum amount of 4912-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-1039
  • 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 4912-1039 available by request