K788-4780 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2,3-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea

K788-4780 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2,3-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea
K788-4780 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2,3-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4780
1-(1-acetylpiperidin-4-yl)-3-(2,3-dimethylphenyl)-1-[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

K788-4780

Molecular Formula

C22H34N4O2S (C22 H34 N4 O2 S)

Compound Name

1-(1-acetylpiperidin-4-yl)-3-(2,3-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea

IUPAC name

1-(1-acetylpiperidin-4-yl)-3-(23-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]thiourea

SMILES

CC(N(CC1)CCC1N(CCN1CCOCC1)C(Nc1c(C)c(C)ccc1)=S)=O

InChI

InChI=1S/C22H34N4O2S/c1-17-5-4-6-21(18(17)2)23-22(29)26(12-11-24-13-15-28-16-14-24)20-7-9-25(10-8-20)19(3)27/h4-6,20H,7-16H2,1-3H3,(H,23,29)

InChI Key

AREGUONWGWHLCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-3.10

Polar Surface Area

38.040

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

K788-4780 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K788-4780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4780?
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What is the minimum amount of K788-4780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4780
  • 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 K788-4780 available by request