D436-0137 Screening compound: N-{3'-acetyl-7-methyl-2-oxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

D436-0137 Screening compound: N-{3'-acetyl-7-methyl-2-oxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide
D436-0137 Screening compound: N-{3'-acetyl-7-methyl-2-oxo-1-propyl-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 D436-0137
N-{3'-acetyl-7-methyl-2-oxo-1-propyl-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

D436-0137

Molecular Formula

C17H20N4O3S (C17 H20 N4 O3 S)

Compound Name

N-{3'-acetyl-7-methyl-2-oxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

IUPAC name

N-{3'-acetyl-7-methyl-2-oxo-1-propyl-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-5'-yl}acetamide

SMILES

CCCN(C(C12SC(NC(C)=O)=NN1C(C)=O)=O)c1c2cccc1C

InChI

InChI=1S/C17H20N4O3S/c1-5-9-20-14-10(2)7-6-8-13(14)17(15(20)24)21(12(4)23)19-16(25-17)18-11(3)22/h6-8H,5,9H2,1-4H3,(H,18,19,22)/t17-/m0/s1

InChI Key

XRSFDRMZKXUBTI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08550798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

2.174

Water Solubility, LogSw

-2.80

Polar Surface Area

67.452

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

D436-0137 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 D436-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D436-0137?
Check Price and Availability of D436-0137, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D436-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D436-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D436-0137
  • 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 D436-0137 available by request