6445-0041 Screening compound: N-[3'-acetyl-5-fluoro-2-oxo-1-(2-phenylethyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide

6445-0041 Screening compound: N-[3'-acetyl-5-fluoro-2-oxo-1-(2-phenylethyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide
6445-0041 Screening compound: N-[3'-acetyl-5-fluoro-2-oxo-1-(2-phenylethyl)-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 6445-0041
N-[3'-acetyl-5-fluoro-2-oxo-1-(2-phenylethyl)-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

6445-0041

Molecular Formula

C21H19FN4O3S (C21 H19 FN4 O3 S)

Compound Name

N-[3'-acetyl-5-fluoro-2-oxo-1-(2-phenylethyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide

IUPAC name

N-[3'-acetyl-5-fluoro-2-oxo-1-(2-phenylethyl)-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-5'-yl]acetamide

SMILES

CC(NC(SC1(c(cc(cc2)F)c2N2CCc3ccccc3)C2=O)=NN1C(C)=O)=O

InChI

InChI=1S/C21H19FN4O3S/c1-13(27)23-20-24-26(14(2)28)21(30-20)17-12-16(22)8-9-18(17)25(19(21)29)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,23,24,27)/t21-/m0/s1

InChI Key

STULAYJAHCBJQE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04326960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.56

Polar Surface Area

66.024

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

6445-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6445-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6445-0041?
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What is the minimum amount of 6445-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6445-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6445-0041
  • 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 6445-0041 available by request