D436-0451 Screening compound: N-{3'-acetyl-5-chloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

D436-0451 Screening compound: N-{3'-acetyl-5-chloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide
D436-0451 Screening compound: N-{3'-acetyl-5-chloro-1-[3-(2-methylphenoxy)propyl]-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 D436-0451
N-{3'-acetyl-5-chloro-1-[3-(2-methylphenoxy)propyl]-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

D436-0451

Molecular Formula

C23H23ClN4O4S (C23 H23 ClN4 O4 S)

Compound Name

N-{3'-acetyl-5-chloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide

IUPAC name

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

SMILES

CC(NC(SC1(c(cc(cc2)Cl)c2N2CCCOc3c(C)cccc3)C2=O)=NN1C(C)=O)=O

InChI

InChI=1S/C23H23ClN4O4S/c1-14-7-4-5-8-20(14)32-12-6-11-27-19-10-9-17(24)13-18(19)23(21(27)31)28(16(3)30)26-22(33-23)25-15(2)29/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,25,26,29)/t23-/m0/s1

InChI Key

CHQVZQDCKKJMSY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD09221375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

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

4.124

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.52

Polar Surface Area

73.528

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D436-0451 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 D436-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D436-0451?
Check Price and Availability of D436-0451, 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 D436-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D436-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D436-0451
  • 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 D436-0451 available by request