K788-1677 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[(Z)-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]thiourea

K788-1677 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[(Z)-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]thiourea
K788-1677 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[(Z)-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1677
1-(3-chloro-4-methoxyphenyl)-3-[(Z)-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]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

K788-1677

Molecular Formula

C21H21ClN4OS (C21 H21 ClN4 OS)

Compound Name

1-(3-chloro-4-methoxyphenyl)-3-[(Z)-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]thiourea

IUPAC name

1-(3-chloro-4-methoxyphenyl)-3-[(Z)-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]thiourea

SMILES

Cc1ccc(Cn2c(/C=N\NC(Nc(cc3)cc(Cl)c3OC)=S)ccc2)cc1

InChI

InChI=1S/C21H21ClN4OS/c1-15-5-7-16(8-6-15)14-26-11-3-4-18(26)13-23-25-21(28)24-17-9-10-20(27-2)19(22)12-17/h3-13H,14H2,1-2H3,(H2,24,25,28)

InChI Key

DVWJOBVWXCNDMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.895

Distribution Coefficient, logD

5.895

Water Solubility, LogSw

-6.08

Polar Surface Area

40.986

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with K788-1677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1677?
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What is the minimum amount of K788-1677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1677
  • 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 K788-1677 available by request