8017-9933 Screening compound: 7-(2-chlorophenyl)-10-[(Z)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9-one

8017-9933 Screening compound: 7-(2-chlorophenyl)-10-[(Z)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9-one
8017-9933 Screening compound: 7-(2-chlorophenyl)-10-[(Z)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9933
7-(2-chlorophenyl)-10-[(Z)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9-one

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

8017-9933

Molecular Formula

C28H18ClN3O5S (C28 H18 ClN3 O5 S)

Compound Name

7-(2-chlorophenyl)-10-[(Z)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9-one

IUPAC name

(14Z)-11-(2-chlorophenyl)-14-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]-15-thia-1217-diazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)3516-pentaen-13-one

SMILES

[O-][N+](c1c(/C=C2\SC3=NC(c4c(CC5)cccc4)=C5C(c(cccc4)c4Cl)N3C2=O)cc2OCOc2c1)=O

InChI

InChI=1S/C28H18ClN3O5S/c29-20-8-4-3-7-18(20)26-19-10-9-15-5-1-2-6-17(15)25(19)30-28-31(26)27(33)24(38-28)12-16-11-22-23(37-14-36-22)13-21(16)32(34)35/h1-8,11-13,26H,9-10,14H2/t26-/m1/s1

InChI Key

LTUQFINOHWIOIX-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03666413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.708

Distribution Coefficient, logD

5.282

Water Solubility, LogSw

-6.45

Polar Surface Area

75.396

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

8017-9933 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-9933 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-9933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9933
  • 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 8017-9933 available by request