K788-6487 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-{3-[methyl(phenyl)amino]propyl}urea

K788-6487 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-{3-[methyl(phenyl)amino]propyl}urea
K788-6487 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-{3-[methyl(phenyl)amino]propyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6487
3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-{3-[methyl(phenyl)amino]propyl}urea

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

K788-6487

Molecular Formula

C31H35ClN4O2 (C31 H35 ClN4 O2)

Compound Name

3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-{3-[methyl(phenyl)amino]propyl}urea

IUPAC name

3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-{3-[methyl(phenyl)amino]propyl}urea

SMILES

CCOc(cc1)ccc1NC(N(CCCN(C)c1ccccc1)Cc1cccn1Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C31H35ClN4O2/c1-3-38-30-18-16-27(17-19-30)33-31(37)36(22-8-20-34(2)28-9-5-4-6-10-28)24-29-11-7-21-35(29)23-25-12-14-26(32)15-13-25/h4-7,9-19,21H,3,8,20,22-24H2,1-2H3,(H,33,37)

InChI Key

GNLMCWIQNSOGOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.1

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.363

Distribution Coefficient, logD

6.359

Water Solubility, LogSw

-6.14

Polar Surface Area

37.376

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

K788-6487 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-6487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6487?
Check Price and Availability of K788-6487, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K788-6487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6487
  • 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 K788-6487 available by request