K788-3707 Screening compound: 1-benzyl-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(methylsulfanyl)phenyl]thiourea

K788-3707 Screening compound: 1-benzyl-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(methylsulfanyl)phenyl]thiourea
K788-3707 Screening compound: 1-benzyl-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(methylsulfanyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3707
1-benzyl-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(methylsulfanyl)phenyl]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

K788-3707

Molecular Formula

C27H26ClN3S2 (C27 H26 ClN3 S2)

Compound Name

1-benzyl-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(methylsulfanyl)phenyl]thiourea

IUPAC name

1-benzyl-1-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(methylsulfanyl)phenyl]thiourea

SMILES

CSc1cccc(NC(N(Cc2cccn2Cc(cccc2)c2Cl)Cc2ccccc2)=S)c1

InChI

InChI=1S/C27H26ClN3S2/c1-33-25-14-7-12-23(17-25)29-27(32)31(18-21-9-3-2-4-10-21)20-24-13-8-16-30(24)19-22-11-5-6-15-26(22)28/h2-17H,18-20H2,1H3,(H,29,32)

InChI Key

KOHRLENVTGIWJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.11

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.035

Distribution Coefficient, logD

7.035

Water Solubility, LogSw

-6.60

Polar Surface Area

12.498

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

K788-3707 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 K788-3707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3707?
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What is the minimum amount of K788-3707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3707
  • 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 K788-3707 available by request