6445-0053 Screening compound: methyl 2-{3'-acetyl-5'-acetamido-5,7-dimethyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-1-yl}acetate

6445-0053 Screening compound: methyl 2-{3'-acetyl-5'-acetamido-5,7-dimethyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-1-yl}acetate
6445-0053 Screening compound: methyl 2-{3'-acetyl-5'-acetamido-5,7-dimethyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6445-0053
methyl 2-{3'-acetyl-5'-acetamido-5,7-dimethyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-1-yl}acetate

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

6445-0053

Molecular Formula

C18H20N4O5S (C18 H20 N4 O5 S)

Compound Name

methyl 2-{3'-acetyl-5'-acetamido-5,7-dimethyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-1-yl}acetate

IUPAC name

methyl 2-{3'-acetyl-5'-acetamido-57-dimethyl-2-oxo-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-1-yl}acetate

SMILES

CC(NC(SC1(c(cc(C)cc2C)c2N2CC(OC)=O)C2=O)=NN1C(C)=O)=O

InChI

InChI=1S/C18H20N4O5S/c1-9-6-10(2)15-13(7-9)18(16(26)21(15)8-14(25)27-5)22(12(4)24)20-17(28-18)19-11(3)23/h6-7H,8H2,1-5H3,(H,19,20,23)/t18-/m0/s1

InChI Key

HUSUWASLYZMISS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04328193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.662

Distribution Coefficient, logD

1.647

Water Solubility, LogSw

-2.61

Polar Surface Area

88.053

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

6445-0053 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 6445-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6445-0053?
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What is the minimum amount of 6445-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6445-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6445-0053
  • 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 6445-0053 available by request