8016-6884 Screening compound: methyl 5-fluoro-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-1H-indole-2-carboxylate

8016-6884 Screening compound: methyl 5-fluoro-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-1H-indole-2-carboxylate
8016-6884 Screening compound: methyl 5-fluoro-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6884
methyl 5-fluoro-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-1H-indole-2-carboxylate

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

8016-6884

Molecular Formula

C18H14FN3O5S2 (C18 H14 FN3 O5 S2)

Compound Name

methyl 5-fluoro-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-1H-indole-2-carboxylate

IUPAC name

methyl 5-fluoro-3-(3-methyl-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamido)-1H-indole-2-carboxylate

SMILES

CN(c(ccc(S(Nc1c(C(OC)=O)[nH]c(cc2)c1cc2F)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C18H14FN3O5S2/c1-22-13-6-4-10(8-14(13)28-18(22)24)29(25,26)21-15-11-7-9(19)3-5-12(11)20-16(15)17(23)27-2/h3-8,20-21H,1-2H3

InChI Key

NHKZREURNYJQIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

0.786

Water Solubility, LogSw

-3.45

Polar Surface Area

86.396

Acid Dissociation Constant (pKa)

5.44

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8016-6884 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-6884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6884?
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What is the minimum amount of 8016-6884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6884
  • 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 8016-6884 available by request