8019-3936 Screening compound: N~2~-(6-acetyl-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)sulfonyl]-2-pyrrolidinecarboxamide

8019-3936 Screening compound: N~2~-(6-acetyl-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)sulfonyl]-2-pyrrolidinecarboxamide
8019-3936 Screening compound: N~2~-(6-acetyl-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)sulfonyl]-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3936
N~2~-(6-acetyl-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)sulfonyl]-2-pyrrolidinecarboxamide

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

8019-3936

Molecular Formula

C20H19ClN2O6S (C20 H19 ClN2 O6 S)

Compound Name

N~2~-(6-acetyl-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)sulfonyl]-2-pyrrolidinecarboxamide

IUPAC name

N-(6-acetyl-2H-13-benzodioxol-5-yl)-1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxamide

SMILES

CC(c(cc1OCOc1c1)c1NC(C(CCC1)N1S(c(cc1)ccc1Cl)(=O)=O)=O)=O

InChI

InChI=1S/C20H19ClN2O6S/c1-12(24)15-9-18-19(29-11-28-18)10-16(15)22-20(25)17-3-2-8-23(17)30(26,27)14-6-4-13(21)5-7-14/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,22,25)/t17-/m0/s1

InChI Key

ZBJVMHPZJDXQIZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09064729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-3.66

Polar Surface Area

86.122

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8019-3936 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-3936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3936?
Check Price and Availability of 8019-3936, 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 8019-3936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3936
  • 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 8019-3936 available by request