8012-8010 Screening compound: 4-[(methoxycarbonyl)amino]thiolan-3-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

8012-8010 Screening compound: 4-[(methoxycarbonyl)amino]thiolan-3-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate
8012-8010 Screening compound: 4-[(methoxycarbonyl)amino]thiolan-3-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8010
4-[(methoxycarbonyl)amino]thiolan-3-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

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

8012-8010

Molecular Formula

C20H24N2O6S (C20 H24 N2 O6 S)

Compound Name

4-[(methoxycarbonyl)amino]thiolan-3-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

IUPAC name

4-[(methoxycarbonyl)amino]thiolan-3-yl 6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanoate

SMILES

COC(NC(CSC1)C1OC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C20H24N2O6S/c1-27-20(26)21-15-11-29-12-16(15)28-17(23)9-3-2-6-10-22-18(24)13-7-4-5-8-14(13)19(22)25/h4-5,7-8,15-16H,2-3,6,9-12H2,1H3,(H,21,26)

InChI Key

GBRNLKNGGALXHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.77

Polar Surface Area

82.648

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8012-8010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8010?
Check Price and Availability of 8012-8010, 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 8012-8010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8010
  • 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 8012-8010 available by request