8019-6546 Screening compound: N-{3'-acetyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

8019-6546 Screening compound: N-{3'-acetyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide
8019-6546 Screening compound: N-{3'-acetyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6546
N-{3'-acetyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

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

8019-6546

Molecular Formula

C20H17ClN4O3S (C20 H17 ClN4 O3 S)

Compound Name

N-{3'-acetyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

IUPAC name

N-{3'-acetyl-1-[(4-chlorophenyl)methyl]-2-oxo-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-5'-yl}acetamide

SMILES

CC(NC(SC1(c(cccc2)c2N2Cc(cc3)ccc3Cl)C2=O)=NN1C(C)=O)=O

InChI

InChI=1S/C20H17ClN4O3S/c1-12(26)22-19-23-25(13(2)27)20(29-19)16-5-3-4-6-17(16)24(18(20)28)11-14-7-9-15(21)10-8-14/h3-10H,11H2,1-2H3,(H,22,23,26)/t20-/m0/s1

InChI Key

YQOFVCALUJQELH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10038756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-3.77

Polar Surface Area

66.045

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8019-6546 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-6546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6546?
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What is the minimum amount of 8019-6546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6546
  • 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 8019-6546 available by request