D436-0667 Screening compound: N-[3'-acetyl-5-bromo-1-(3-methylbutyl)-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide

D436-0667 Screening compound: N-[3'-acetyl-5-bromo-1-(3-methylbutyl)-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide
D436-0667 Screening compound: N-[3'-acetyl-5-bromo-1-(3-methylbutyl)-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 D436-0667
N-[3'-acetyl-5-bromo-1-(3-methylbutyl)-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

D436-0667

Molecular Formula

C18H21BrN4O3S (C18 H21 BrN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(C(C12SC(NC(C)=O)=NN1C(C)=O)=O)c(cc1)c2cc1Br

InChI

InChI=1S/C18H21BrN4O3S/c1-10(2)7-8-22-15-6-5-13(19)9-14(15)18(16(22)26)23(12(4)25)21-17(27-18)20-11(3)24/h5-6,9-10H,7-8H2,1-4H3,(H,20,21,24)/t18-/m0/s1

InChI Key

PKQJOZOVWFTPFF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08547914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.36

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

3.471

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.79

Polar Surface Area

66.295

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D436-0667 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 D436-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D436-0667?
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What is the minimum amount of D436-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D436-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D436-0667
  • 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 D436-0667 available by request