D436-0024 Screening compound: N-{3'-acetyl-1-[(2-butoxyphenyl)methyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

D436-0024 Screening compound: N-{3'-acetyl-1-[(2-butoxyphenyl)methyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide
D436-0024 Screening compound: N-{3'-acetyl-1-[(2-butoxyphenyl)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 D436-0024
N-{3'-acetyl-1-[(2-butoxyphenyl)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

D436-0024

Molecular Formula

C24H26N4O4S (C24 H26 N4 O4 S)

Compound Name

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

SMILES

CCCCOc1c(CN(C(C23SC(NC(C)=O)=NN2C(C)=O)=O)c2c3cccc2)cccc1

InChI

InChI=1S/C24H26N4O4S/c1-4-5-14-32-21-13-9-6-10-18(21)15-27-20-12-8-7-11-19(20)24(22(27)31)28(17(3)30)26-23(33-24)25-16(2)29/h6-13H,4-5,14-15H2,1-3H3,(H,25,26,29)/t24-/m0/s1

InChI Key

GUYISCYOQUHTJY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD08548865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.18

Polar Surface Area

73.550

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D436-0024 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D436-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D436-0024?
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What is the minimum amount of D436-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D436-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D436-0024
  • 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 D436-0024 available by request