K783-5445 Screening compound: 3-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea

K783-5445 Screening compound: 3-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
K783-5445 Screening compound: 3-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5445
3-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)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

K783-5445

Molecular Formula

C28H26Cl3N3S (C28 H26 Cl3 N3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(N(CCc(cc1)ccc1Cl)Cc1cccn1Cc(cccc1)c1Cl)=S)c1)c1Cl

InChI

InChI=1S/C28H26Cl3N3S/c1-20-8-13-24(17-27(20)31)32-28(35)34(16-14-21-9-11-23(29)12-10-21)19-25-6-4-15-33(25)18-22-5-2-3-7-26(22)30/h2-13,15,17H,14,16,18-19H2,1H3,(H,32,35)

InChI Key

GZAGXLPJUDFFNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.96

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

8.840

Distribution Coefficient, logD

8.840

Water Solubility, LogSw

-6.62

Polar Surface Area

12.477

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with K783-5445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5445?
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What is the minimum amount of K783-5445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5445
  • 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 K783-5445 available by request