K788-0589 Screening compound: 1-(3-methoxypropyl)-1-[1-(pyridin-4-yl)ethyl]-3-(2,4,6-trimethylphenyl)thiourea

K788-0589 Screening compound: 1-(3-methoxypropyl)-1-[1-(pyridin-4-yl)ethyl]-3-(2,4,6-trimethylphenyl)thiourea
K788-0589 Screening compound: 1-(3-methoxypropyl)-1-[1-(pyridin-4-yl)ethyl]-3-(2,4,6-trimethylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0589
1-(3-methoxypropyl)-1-[1-(pyridin-4-yl)ethyl]-3-(2,4,6-trimethylphenyl)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

K788-0589

Molecular Formula

C21H29N3OS (C21 H29 N3 OS)

Compound Name

1-(3-methoxypropyl)-1-[1-(pyridin-4-yl)ethyl]-3-(2,4,6-trimethylphenyl)thiourea

IUPAC name

1-(3-methoxypropyl)-1-[1-(pyridin-4-yl)ethyl]-3-(246-trimethylphenyl)thiourea

SMILES

CC(c1ccncc1)N(CCCOC)C(Nc1c(C)cc(C)cc1C)=S

InChI

InChI=1S/C21H29N3OS/c1-15-13-16(2)20(17(3)14-15)23-21(26)24(11-6-12-25-5)18(4)19-7-9-22-10-8-19/h7-10,13-14,18H,6,11-12H2,1-5H3,(H,23,26)/t18-/m0/s1

InChI Key

PFUWIKJKPPLMFY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05030587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-3.94

Polar Surface Area

26.417

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with K788-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0589?
Check Price and Availability of K788-0589, 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 K788-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0589
  • 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 K788-0589 available by request