K788-4790 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-[3-(methylsulfanyl)phenyl]-3-[2-(morpholin-4-yl)ethyl]thiourea

K788-4790 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-[3-(methylsulfanyl)phenyl]-3-[2-(morpholin-4-yl)ethyl]thiourea
K788-4790 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-[3-(methylsulfanyl)phenyl]-3-[2-(morpholin-4-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4790
3-(1-acetylpiperidin-4-yl)-1-[3-(methylsulfanyl)phenyl]-3-[2-(morpholin-4-yl)ethyl]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

K788-4790

Molecular Formula

C21H32N4O2S2 (C21 H32 N4 O2 S2)

Compound Name

3-(1-acetylpiperidin-4-yl)-1-[3-(methylsulfanyl)phenyl]-3-[2-(morpholin-4-yl)ethyl]thiourea

IUPAC name

3-(1-acetylpiperidin-4-yl)-1-[3-(methylsulfanyl)phenyl]-3-[2-(morpholin-4-yl)ethyl]thiourea

SMILES

CC(N(CC1)CCC1N(CCN1CCOCC1)C(Nc1cc(SC)ccc1)=S)=O

InChI

InChI=1S/C21H32N4O2S2/c1-17(26)24-8-6-19(7-9-24)25(11-10-23-12-14-27-15-13-23)21(28)22-18-4-3-5-20(16-18)29-2/h3-5,16,19H,6-15H2,1-2H3,(H,22,28)

InChI Key

JNXZLWVCESYYDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-3.06

Polar Surface Area

38.738

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

K788-4790 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 K788-4790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4790?
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What is the minimum amount of K788-4790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4790
  • 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 K788-4790 available by request