D399-0522 Screening compound: 6-{[2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

D399-0522 Screening compound: 6-{[2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
D399-0522 Screening compound: 6-{[2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0522
6-{[2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

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

D399-0522

Molecular Formula

C20H20FN3O4S (C20 H20 FN3 O4 S)

Compound Name

6-{[2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

6-{[2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-14-dimethyl-1234-tetrahydroquinoxaline-23-dione

SMILES

CN(c(ccc(S(N(CCC1)C1c(cccc1)c1F)(=O)=O)c1)c1N(C)C1=O)C1=O

InChI

InChI=1S/C20H20FN3O4S/c1-22-17-10-9-13(12-18(17)23(2)20(26)19(22)25)29(27,28)24-11-5-8-16(24)14-6-3-4-7-15(14)21/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3/t16-/m0/s1

InChI Key

USNCMJBTBOSCIJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10702817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.882

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-2.75

Polar Surface Area

62.874

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D399-0522 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D399-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0522?
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What is the minimum amount of D399-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0522
  • 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 D399-0522 available by request