K788-4733 Screening compound: 1-benzyl-1-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(4-ethoxyphenyl)thiourea

K788-4733 Screening compound: 1-benzyl-1-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(4-ethoxyphenyl)thiourea
K788-4733 Screening compound: 1-benzyl-1-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(4-ethoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4733
1-benzyl-1-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(4-ethoxyphenyl)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

K788-4733

Molecular Formula

C28H28ClN3OS (C28 H28 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(N(Cc1cccn1Cc1cccc(Cl)c1)Cc1ccccc1)=S

InChI

InChI=1S/C28H28ClN3OS/c1-2-33-27-15-13-25(14-16-27)30-28(34)32(19-22-8-4-3-5-9-22)21-26-12-7-17-31(26)20-23-10-6-11-24(29)18-23/h3-18H,2,19-21H2,1H3,(H,30,34)

InChI Key

OQVWYKCMHNGADE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.07

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

6.950

Distribution Coefficient, logD

6.950

Water Solubility, LogSw

-6.36

Polar Surface Area

19.622

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with K788-4733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4733?
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What is the minimum amount of K788-4733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4733
  • 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 K788-4733 available by request