6187-2467 Screening compound: 2-{3-[(5Z)-2-(2-bromophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

6187-2467 Screening compound: 2-{3-[(5Z)-2-(2-bromophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
6187-2467 Screening compound: 2-{3-[(5Z)-2-(2-bromophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-2467
2-{3-[(5Z)-2-(2-bromophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

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

6187-2467

Molecular Formula

C20H11BrN4O4S (C20 H11 BrN4 O4 S)

Compound Name

2-{3-[(5Z)-2-(2-bromophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

IUPAC name

2-{3-[(5Z)-2-(2-bromophenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]-2-oxo-23-dihydro-1H-indol-1-yl}acetic acid

SMILES

OC(CN(c(cccc1)c1/C1=C2/Sc3nc(-c(cccc4)c4Br)nn3C2=O)C1=O)=O

InChI

InChI=1S/C20H11BrN4O4S/c21-12-7-3-1-5-10(12)17-22-20-25(23-17)19(29)16(30-20)15-11-6-2-4-8-13(11)24(18(15)28)9-14(26)27/h1-8H,9H2,(H,26,27)

InChI Key

FIUZKFKHCMMTMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04018901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

-2.152

Water Solubility, LogSw

-2.74

Polar Surface Area

81.320

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

6187-2467 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6187-2467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2467?
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What is the minimum amount of 6187-2467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2467
  • 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 6187-2467 available by request