D399-0298 Screening compound: 6-{[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

D399-0298 Screening compound: 6-{[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
D399-0298 Screening compound: 6-{[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0298
6-{[2-(4-methoxyphenyl)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

D399-0298

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

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

IUPAC name

6-{[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonyl}-14-dimethyl-1234-tetrahydroquinoxaline-23-dione

SMILES

CN(c(ccc(S(N(CCC1)C1c(cc1)ccc1OC)(=O)=O)c1)c1N(C)C1=O)C1=O

InChI

InChI=1S/C21H23N3O5S/c1-22-18-11-10-16(13-19(18)23(2)21(26)20(22)25)30(27,28)24-12-4-5-17(24)14-6-8-15(29-3)9-7-14/h6-11,13,17H,4-5,12H2,1-3H3/t17-/m0/s1

InChI Key

RJBBPKIBEXKGDQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14826483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.698

Distribution Coefficient, logD

1.698

Water Solubility, LogSw

-2.59

Polar Surface Area

70.418

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D399-0298 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

References: we are preparing a list of scientific research reports with D399-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0298?
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What is the minimum amount of D399-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0298
  • 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 D399-0298 available by request