L279-0118 Screening compound: 1-(3-bromophenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}urea

L279-0118 Screening compound: 1-(3-bromophenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}urea
L279-0118 Screening compound: 1-(3-bromophenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L279-0118
1-(3-bromophenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}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

L279-0118

Molecular Formula

C22H24BrN5O2 (C22 H24 BrN5 O2)

Compound Name

1-(3-bromophenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}urea

IUPAC name

1-(3-bromophenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-13-benzodiazol-2-yl]methyl}urea

SMILES

CN(Cc1nc(cc(cc2)C(N3CCCC3)=O)c2n1C)C(Nc1cccc(Br)c1)=O

InChI

InChI=1S/C22H24BrN5O2/c1-26(22(30)24-17-7-5-6-16(23)13-17)14-20-25-18-12-15(8-9-19(18)27(20)2)21(29)28-10-3-4-11-28/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,24,30)

InChI Key

WELKWWQQBBZAHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.31

Polar Surface Area

54.210

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L279-0118 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L279-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L279-0118?
Check Price and Availability of L279-0118, 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 L279-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L279-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L279-0118
  • 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 L279-0118 available by request