4912-0408 Screening compound: methyl N-{4-[(methoxycarbonyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}carbamate

4912-0408 Screening compound: methyl N-{4-[(methoxycarbonyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}carbamate
4912-0408 Screening compound: methyl N-{4-[(methoxycarbonyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0408
methyl N-{4-[(methoxycarbonyl)amino]-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

4912-0408

Molecular Formula

C8H14N2O6S (C8 H14 N2 O6 S)

Compound Name

methyl N-{4-[(methoxycarbonyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}carbamate

IUPAC name

methyl N-{4-[(methoxycarbonyl)amino]-11-dioxo-1lambda6-thiolan-3-yl}carbamate

SMILES

COC(NC(CS(C1)(=O)=O)C1NC(OC)=O)=O

InChI

InChI=1S/C8H14N2O6S/c1-15-7(11)9-5-3-17(13,14)4-6(5)10-8(12)16-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)

InChI Key

HPGNFLYSQCFFKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00434950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.480

Distribution Coefficient, logD

-1.480

Water Solubility, LogSw

-1.30

Polar Surface Area

95.086

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

4912-0408 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 4912-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0408?
Check Price and Availability of 4912-0408, 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 4912-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0408
  • 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 4912-0408 available by request