K788-6495 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,3-dimethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]urea

K788-6495 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,3-dimethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]urea
K788-6495 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,3-dimethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6495
3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,3-dimethylphenyl)-3-[3-(pyrrolidin-1-yl)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

K788-6495

Molecular Formula

C28H35ClN4O (C28 H35 ClN4 O)

Compound Name

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

IUPAC name

3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(23-dimethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]urea

SMILES

Cc1cccc(NC(N(CCCN2CCCC2)Cc2cccn2Cc(cc2)ccc2Cl)=O)c1C

InChI

InChI=1S/C28H35ClN4O/c1-22-8-5-10-27(23(22)2)30-28(34)33(19-7-17-31-15-3-4-16-31)21-26-9-6-18-32(26)20-24-11-13-25(29)14-12-24/h5-6,8-14,18H,3-4,7,15-17,19-21H2,1-2H3,(H,30,34)

InChI Key

CMBRXTGCZZBWNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.06

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.110

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-6.12

Polar Surface Area

30.698

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

K788-6495 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-6495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6495?
Check Price and Availability of K788-6495, 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 K788-6495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6495
  • 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 K788-6495 available by request