8017-8467 Screening compound: 1,4-dimethyl-2,3-dioxo-N~6~-[tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ylmethyl]-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

8017-8467 Screening compound: 1,4-dimethyl-2,3-dioxo-N~6~-[tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ylmethyl]-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide
8017-8467 Screening compound: 1,4-dimethyl-2,3-dioxo-N~6~-[tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ylmethyl]-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8467
1,4-dimethyl-2,3-dioxo-N~6~-[tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ylmethyl]-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

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

8017-8467

Molecular Formula

C27H25N3O4S (C27 H25 N3 O4 S)

Compound Name

1,4-dimethyl-2,3-dioxo-N~6~-[tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ylmethyl]-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

IUPAC name

14-dimethyl-23-dioxo-N-({tetracyclo[6.6.2.0^{27}.0^{914}]hexadeca-2(7)359(14)1012-hexaen-15-yl}methyl)-1234-tetrahydroquinoxaline-6-sulfonamide

SMILES

CN(c(ccc(S(NCC(CC1c2c3cccc2)C3c2c1cccc2)(=O)=O)c1)c1N(C)C1=O)C1=O

InChI

InChI=1S/C27H25N3O4S/c1-29-23-12-11-17(14-24(23)30(2)27(32)26(29)31)35(33,34)28-15-16-13-22-18-7-3-5-9-20(18)25(16)21-10-6-4-8-19(21)22/h3-12,14,16,22,25,28H,13,15H2,1-2H3/t16-,22?,25?/m1/s1

InChI Key

TXCIAOYABGGFEB-PKZZPTEUSA-N

MDL Number (MFCD)

MFCD06618667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.357

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.93

Polar Surface Area

72.005

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

8017-8467 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-8467 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8467
  • 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 8017-8467 available by request