6445-0003 Screening compound: N-{3'-acetyl-2-oxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

6445-0003 Screening compound: N-{3'-acetyl-2-oxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide
6445-0003 Screening compound: N-{3'-acetyl-2-oxo-1-propyl-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 6445-0003
N-{3'-acetyl-2-oxo-1-propyl-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

6445-0003

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

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

IUPAC name

N-{3'-acetyl-2-oxo-1-propyl-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-5'-yl}acetamide

SMILES

CCCN(C(C12SC(NC(C)=O)=NN1C(C)=O)=O)c1c2cccc1

InChI

InChI=1S/C16H18N4O3S/c1-4-9-19-13-8-6-5-7-12(13)16(14(19)23)20(11(3)22)18-15(24-16)17-10(2)21/h5-8H,4,9H2,1-3H3,(H,17,18,21)/t16-/m0/s1

InChI Key

DCWQMMXPTPPKDC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04006830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

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

1.735

Distribution Coefficient, logD

1.720

Water Solubility, LogSw

-2.63

Polar Surface Area

66.295

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

6445-0003 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 6445-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6445-0003?
Check Price and Availability of 6445-0003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6445-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6445-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6445-0003
  • 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 6445-0003 available by request