8019-1887 Screening compound: methyl 5-(4-benzamido-3-oxothiolan-2-yl)pentanoate

8019-1887 Screening compound: methyl 5-(4-benzamido-3-oxothiolan-2-yl)pentanoate
8019-1887 Screening compound: methyl 5-(4-benzamido-3-oxothiolan-2-yl)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1887
methyl 5-(4-benzamido-3-oxothiolan-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

8019-1887

Molecular Formula

C17H21NO4S (C17 H21 NO4 S)

Compound Name

methyl 5-(4-benzamido-3-oxothiolan-2-yl)pentanoate

IUPAC name

methyl 5-(4-benzamido-3-oxothiolan-2-yl)pentanoate

SMILES

COC(CCCCC(C1=O)SCC1NC(c1ccccc1)=O)=O

InChI

InChI=1S/C17H21NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,18,21)

InChI Key

MLMPPNMXCBBTCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01605806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.944

Distribution Coefficient, logD

1.944

Water Solubility, LogSw

-2.24

Polar Surface Area

58.858

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

8019-1887 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8019-1887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1887?
Check Price and Availability of 8019-1887, 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 8019-1887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1887
  • 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 8019-1887 available by request