C916-0469 Screening compound: N-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C916-0469 Screening compound: N-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C916-0469 Screening compound: N-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0469
N-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}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

C916-0469

Molecular Formula

C23H25ClN4O2S (C23 H25 ClN4 O2 S)

Compound Name

N-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamide

SMILES

CN(CC1)CCC1(N=C1c(cc2)ccc2OC)N=C1SCC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H25ClN4O2S/c1-28-13-11-23(12-14-28)26-21(16-3-9-19(30-2)10-4-16)22(27-23)31-15-20(29)25-18-7-5-17(24)6-8-18/h3-10H,11-15H2,1-2H3,(H,25,29)

InChI Key

CCGNDDRVMHHPKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

0.900

Water Solubility, LogSw

-4.03

Polar Surface Area

51.251

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with C916-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0469?
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What is the minimum amount of C916-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0469
  • 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 C916-0469 available by request