K784-3905 Screening compound: 3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]thiourea

K784-3905 Screening compound: 3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]thiourea
K784-3905 Screening compound: 3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3905
3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]thiourea

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

K784-3905

Molecular Formula

C23H29N3O4S (C23 H29 N3 O4 S)

Compound Name

3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]thiourea

IUPAC name

3-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1-[(furan-2-yl)methyl]-1-[(4-methylphenyl)methyl]thiourea

SMILES

Cc1ccc(CN(Cc2ccco2)C(NCC(N(CC2)CCC22OCCO2)=O)=S)cc1

InChI

InChI=1S/C23H29N3O4S/c1-18-4-6-19(7-5-18)16-26(17-20-3-2-12-28-20)22(31)24-15-21(27)25-10-8-23(9-11-25)29-13-14-30-23/h2-7,12H,8-11,13-17H2,1H3,(H,24,31)

InChI Key

OGLCZMNIPPXJCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.606

Distribution Coefficient, logD

2.606

Water Solubility, LogSw

-2.88

Polar Surface Area

50.328

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

K784-3905 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-3905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3905?
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What is the minimum amount of K784-3905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3905
  • 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 K784-3905 available by request