8016-5888 Screening compound: methyl 4-methoxy-3-{[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-1H-indole-2-carboxylate

8016-5888 Screening compound: methyl 4-methoxy-3-{[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-1H-indole-2-carboxylate
8016-5888 Screening compound: methyl 4-methoxy-3-{[(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 8016-5888
methyl 4-methoxy-3-{[(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

8016-5888

Molecular Formula

C18H15N3O6S2 (C18 H15 N3 O6 S2)

Compound Name

methyl 4-methoxy-3-{[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-1H-indole-2-carboxylate

IUPAC name

methyl 4-methoxy-3-(2-oxo-23-dihydro-13-benzothiazole-6-sulfonamido)-1H-indole-2-carboxylate

SMILES

COC(c([nH]c1cccc(OC)c11)c1NS(c(cc1)cc(S2)c1NC2=O)(=O)=O)=O

InChI

InChI=1S/C18H15N3O6S2/c1-26-12-5-3-4-11-14(12)15(16(19-11)17(22)27-2)21-29(24,25)9-6-7-10-13(8-9)28-18(23)20-10/h3-8,19,21H,1-2H3,(H,20,23)

InChI Key

FVLALJYYTAFULT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.609

Distribution Coefficient, logD

-0.636

Water Solubility, LogSw

-3.21

Polar Surface Area

102.564

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with 8016-5888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5888?
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What is the minimum amount of 8016-5888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5888
  • 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 8016-5888 available by request