7386-1202 Screening compound: N-{3'-acetyl-1-benzyl-5-bromo-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

7386-1202 Screening compound: N-{3'-acetyl-1-benzyl-5-bromo-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide
7386-1202 Screening compound: N-{3'-acetyl-1-benzyl-5-bromo-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 7386-1202
N-{3'-acetyl-1-benzyl-5-bromo-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

7386-1202

Molecular Formula

C20H17BrN4O3S (C20 H17 BrN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(SC1(c(cc(cc2)Br)c2N2Cc3ccccc3)C2=O)=NN1C(C)=O)=O

InChI

InChI=1S/C20H17BrN4O3S/c1-12(26)22-19-23-25(13(2)27)20(29-19)16-10-15(21)8-9-17(16)24(18(20)28)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,23,26)/t20-/m0/s1

InChI Key

LRACLFFJQVACLP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05681888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.35

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

3.495

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-3.85

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

7386-1202 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 7386-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7386-1202?
Check Price and Availability of 7386-1202, 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 7386-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7386-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7386-1202
  • 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 7386-1202 available by request