K783-5444 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3-methoxyphenyl)thiourea

K783-5444 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3-methoxyphenyl)thiourea
K783-5444 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5444
1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(3-methoxyphenyl)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

K783-5444

Molecular Formula

C28H27Cl2N3OS (C28 H27 Cl2 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(N(CCc(cc2)ccc2Cl)Cc2cccn2Cc(cccc2)c2Cl)=S)c1

InChI

InChI=1S/C28H27Cl2N3OS/c1-34-26-9-4-7-24(18-26)31-28(35)33(17-15-21-11-13-23(29)14-12-21)20-25-8-5-16-32(25)19-22-6-2-3-10-27(22)30/h2-14,16,18H,15,17,19-20H2,1H3,(H,31,35)

InChI Key

ZVGFFVFESRYJQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.516

Distribution Coefficient, logD

7.516

Water Solubility, LogSw

-6.58

Polar Surface Area

20.020

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

K783-5444 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 K783-5444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5444?
Check Price and Availability of K783-5444, 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 K783-5444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5444
  • 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 K783-5444 available by request