8015-8668 Screening compound: 1-[4-(4-nitrophenoxy)benzenesulfonyl]-5-oxopyrrolidine-2-carboxylic acid

8015-8668 Screening compound: 1-[4-(4-nitrophenoxy)benzenesulfonyl]-5-oxopyrrolidine-2-carboxylic acid
8015-8668 Screening compound: 1-[4-(4-nitrophenoxy)benzenesulfonyl]-5-oxopyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8668
1-[4-(4-nitrophenoxy)benzenesulfonyl]-5-oxopyrrolidine-2-carboxylic acid

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

8015-8668

Molecular Formula

C17H14N2O8S (C17 H14 N2 O8 S)

Compound Name

1-[4-(4-nitrophenoxy)benzenesulfonyl]-5-oxopyrrolidine-2-carboxylic acid

IUPAC name

1-[4-(4-nitrophenoxy)benzenesulfonyl]-5-oxopyrrolidine-2-carboxylic acid

SMILES

[O-][N+](c(cc1)ccc1Oc(cc1)ccc1S(N(C(CC1)C(O)=O)C1=O)(=O)=O)=O

InChI

InChI=1S/C17H14N2O8S/c20-16-10-9-15(17(21)22)18(16)28(25,26)14-7-5-13(6-8-14)27-12-3-1-11(2-4-12)19(23)24/h1-8,15H,9-10H2,(H,21,22)/t15-/m0/s1

InChI Key

VIDFYWQCTXRSSE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05258817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.37

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.717

Distribution Coefficient, logD

-1.670

Water Solubility, LogSw

-2.50

Polar Surface Area

114.753

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

-18.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8015-8668 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-8668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8668?
Check Price and Availability of 8015-8668, 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 8015-8668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8668
  • 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 8015-8668 available by request