D436-0290 Screening compound: N-(3'-acetyl-5,7-dimethyl-2-oxo-1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide

D436-0290 Screening compound: N-(3'-acetyl-5,7-dimethyl-2-oxo-1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide
D436-0290 Screening compound: N-(3'-acetyl-5,7-dimethyl-2-oxo-1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-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 D436-0290
N-(3'-acetyl-5,7-dimethyl-2-oxo-1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-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

D436-0290

Molecular Formula

C25H26N4O4S (C25 H26 N4 O4 S)

Compound Name

N-(3'-acetyl-5,7-dimethyl-2-oxo-1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide

IUPAC name

N-(3'-acetyl-57-dimethyl-2-oxo-1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-5'-yl)acetamide

SMILES

CC(NC(SC1(c(cc(C)cc2C)c2N2Cc(cccc3)c3OCC=C)C2=O)=NN1C(C)=O)=O

InChI

InChI=1S/C25H26N4O4S/c1-6-11-33-21-10-8-7-9-19(21)14-28-22-16(3)12-15(2)13-20(22)25(23(28)32)29(18(5)31)27-24(34-25)26-17(4)30/h6-10,12-13H,1,11,14H2,2-5H3,(H,26,27,30)/t25-/m0/s1

InChI Key

PHBSHVQZSBFRHT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD09221352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.37

Polar Surface Area

74.707

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

D436-0290 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 D436-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D436-0290?
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What is the minimum amount of D436-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D436-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D436-0290
  • 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 D436-0290 available by request