8016-1154 Screening compound: methyl [3'-acetyl-5'-(acetylamino)-2-oxo-3'{H}-spiro[indole-3,2'-[1,3,4]thiadiazol]-1(2{H})-yl]acetate

8016-1154 Screening compound: methyl [3'-acetyl-5'-(acetylamino)-2-oxo-3'{H}-spiro[indole-3,2'-[1,3,4]thiadiazol]-1(2{H})-yl]acetate
8016-1154 Screening compound: methyl [3'-acetyl-5'-(acetylamino)-2-oxo-3'{H}-spiro[indole-3,2'-[1,3,4]thiadiazol]-1(2{H})-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1154
methyl [3'-acetyl-5'-(acetylamino)-2-oxo-3'{H}-spiro[indole-3,2'-[1,3,4]thiadiazol]-1(2{H})-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

8016-1154

Molecular Formula

C16H16N4O5S (C16 H16 N4 O5 S)

Compound Name

methyl [3'-acetyl-5'-(acetylamino)-2-oxo-3'{H}-spiro[indole-3,2'-[1,3,4]thiadiazol]-1(2{H})-yl]acetate

IUPAC name

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

SMILES

CC(NC(SC1(c(cccc2)c2N2CC(OC)=O)C2=O)=NN1C(C)=O)=O

InChI

InChI=1S/C16H16N4O5S/c1-9(21)17-15-18-20(10(2)22)16(26-15)11-6-4-5-7-12(11)19(14(16)24)8-13(23)25-3/h4-7H,8H2,1-3H3,(H,17,18,21)/t16-/m0/s1

InChI Key

IDISDSNLQBESLY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04324464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.39

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

0.445

Distribution Coefficient, logD

0.430

Water Solubility, LogSw

-2.31

Polar Surface Area

86.896

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

8016-1154 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 8016-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1154?
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What is the minimum amount of 8016-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1154
  • 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 8016-1154 available by request