K788-6381 Screening compound: 3-{3-[bis(2-methylpropyl)amino]propyl}-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4-dimethylphenyl)urea

K788-6381 Screening compound: 3-{3-[bis(2-methylpropyl)amino]propyl}-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4-dimethylphenyl)urea
K788-6381 Screening compound: 3-{3-[bis(2-methylpropyl)amino]propyl}-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6381
3-{3-[bis(2-methylpropyl)amino]propyl}-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4-dimethylphenyl)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

K788-6381

Molecular Formula

C32H45ClN4O (C32 H45 ClN4 O)

Compound Name

3-{3-[bis(2-methylpropyl)amino]propyl}-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4-dimethylphenyl)urea

IUPAC name

3-{3-[bis(2-methylpropyl)amino]propyl}-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(34-dimethylphenyl)urea

SMILES

CC(C)CN(CCCN(Cc1cccn1Cc(cc1)ccc1Cl)C(Nc1cc(C)c(C)cc1)=O)CC(C)C

InChI

InChI=1S/C32H45ClN4O/c1-24(2)20-35(21-25(3)4)16-8-18-37(32(38)34-30-15-10-26(5)27(6)19-30)23-31-9-7-17-36(31)22-28-11-13-29(33)14-12-28/h7,9-15,17,19,24-25H,8,16,18,20-23H2,1-6H3,(H,34,38)

InChI Key

HVONITMQIXYQSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.107

Distribution Coefficient, logD

5.861

Water Solubility, LogSw

-6.44

Polar Surface Area

31.281

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.90

K788-6381 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-6381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6381?
Check Price and Availability of K788-6381, 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 K788-6381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6381
  • 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 K788-6381 available by request