6190-0073 Screening compound: 2-[3-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid

6190-0073 Screening compound: 2-[3-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
6190-0073 Screening compound: 2-[3-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6190-0073
2-[3-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)-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

6190-0073

Molecular Formula

C22H17N9O5S (C22 H17 N9 O5 S)

Compound Name

2-[3-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid

IUPAC name

2-[3-({[1-(4-amino-125-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-123-triazol-4-yl]formamido}imino)-2-oxo-23-dihydro-1H-indol-1-yl]acetic acid

SMILES

Nc1nonc1-n1nnc(C(N/N=C(\c(cccc2)c2N2CC(O)=O)/C2=O)=O)c1CSc1ccccc1

InChI

InChI=1S/C22H17N9O5S/c23-19-20(28-36-27-19)31-15(11-37-12-6-2-1-3-7-12)18(25-29-31)21(34)26-24-17-13-8-4-5-9-14(13)30(22(17)35)10-16(32)33/h1-9H,10-11H2,(H2,23,27)(H,26,34)(H,32,33)

InChI Key

IVJHPFVGFOOYAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.045

Distribution Coefficient, logD

-2.980

Water Solubility, LogSw

-2.44

Polar Surface Area

160.574

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 6190-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6190-0073?
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What is the minimum amount of 6190-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6190-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6190-0073
  • 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 6190-0073 available by request