K788-0850 Screening compound: 3-(3,5-dichlorophenyl)-1-(2-methoxyethyl)-1-[1-(pyridin-3-yl)ethyl]thiourea

K788-0850 Screening compound: 3-(3,5-dichlorophenyl)-1-(2-methoxyethyl)-1-[1-(pyridin-3-yl)ethyl]thiourea
K788-0850 Screening compound: 3-(3,5-dichlorophenyl)-1-(2-methoxyethyl)-1-[1-(pyridin-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0850
3-(3,5-dichlorophenyl)-1-(2-methoxyethyl)-1-[1-(pyridin-3-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

K788-0850

Molecular Formula

C17H19Cl2N3OS (C17 H19 Cl2 N3 OS)

Compound Name

3-(3,5-dichlorophenyl)-1-(2-methoxyethyl)-1-[1-(pyridin-3-yl)ethyl]thiourea

IUPAC name

3-(35-dichlorophenyl)-1-(2-methoxyethyl)-1-[1-(pyridin-3-yl)ethyl]thiourea

SMILES

CC(c1cnccc1)N(CCOC)C(Nc1cc(Cl)cc(Cl)c1)=S

InChI

InChI=1S/C17H19Cl2N3OS/c1-12(13-4-3-5-20-11-13)22(6-7-23-2)17(24)21-16-9-14(18)8-15(19)10-16/h3-5,8-12H,6-7H2,1-2H3,(H,21,24)/t12-/m0/s1

InChI Key

LQAGOAPZYWMFOA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03834322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.549

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.57

Polar Surface Area

27.902

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

K788-0850 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K788-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0850?
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What is the minimum amount of K788-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0850
  • 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 K788-0850 available by request