K783-5382 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3,5-dichlorophenyl)thiourea

K783-5382 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3,5-dichlorophenyl)thiourea
K783-5382 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3,5-dichlorophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5382
1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3,5-dichlorophenyl)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

K783-5382

Molecular Formula

C27H23Cl4N3S (C27 H23 Cl4 N3 S)

Compound Name

1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3,5-dichlorophenyl)thiourea

IUPAC name

1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(35-dichlorophenyl)thiourea

SMILES

S=C(Nc1cc(Cl)cc(Cl)c1)N(CCc(cc1)ccc1Cl)Cc1cccn1Cc(cccc1)c1Cl

InChI

InChI=1S/C27H23Cl4N3S/c28-21-9-7-19(8-10-21)11-13-34(27(35)32-24-15-22(29)14-23(30)16-24)18-25-5-3-12-33(25)17-20-4-1-2-6-26(20)31/h1-10,12,14-16H,11,13,17-18H2,(H,32,35)

InChI Key

KLUZJUIZDHPBEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.980

Distribution Coefficient, logD

8.980

Water Solubility, LogSw

-6.98

Polar Surface Area

12.477

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

K783-5382 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K783-5382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5382?
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What is the minimum amount of K783-5382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5382
  • 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 K783-5382 available by request