K788-3391 Screening compound: 1-benzyl-1-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(2-chloro-4-methylphenyl)thiourea

K788-3391 Screening compound: 1-benzyl-1-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(2-chloro-4-methylphenyl)thiourea
K788-3391 Screening compound: 1-benzyl-1-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(2-chloro-4-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3391
1-benzyl-1-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(2-chloro-4-methylphenyl)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

K788-3391

Molecular Formula

C27H24Cl2FN3S (C27 H24 Cl2 FN3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(N(Cc1cccn1Cc(ccc(F)c1)c1Cl)Cc1ccccc1)=S

InChI

InChI=1S/C27H24Cl2FN3S/c1-19-9-12-26(25(29)14-19)31-27(34)33(16-20-6-3-2-4-7-20)18-23-8-5-13-32(23)17-21-10-11-22(30)15-24(21)28/h2-15H,16-18H2,1H3,(H,31,34)

InChI Key

JFRKWMBZERRSBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.882

Distribution Coefficient, logD

7.882

Water Solubility, LogSw

-6.59

Polar Surface Area

11.800

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with K788-3391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3391?
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What is the minimum amount of K788-3391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3391
  • 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 K788-3391 available by request