L748-0110 Screening compound: 3-{2-[5-(piperidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea

L748-0110 Screening compound: 3-{2-[5-(piperidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea
L748-0110 Screening compound: 3-{2-[5-(piperidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0110
3-{2-[5-(piperidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]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

L748-0110

Molecular Formula

C23H24F3N5O2 (C23 H24 F3 N5 O2)

Compound Name

3-{2-[5-(piperidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-{2-[5-(piperidine-1-carbonyl)-1H-13-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea

SMILES

O=C(c(cc1)cc2c1n(CCNC(Nc1cccc(C(F)(F)F)c1)=O)cn2)N1CCCCC1

InChI

InChI=1S/C23H24F3N5O2/c24-23(25,26)17-5-4-6-18(14-17)29-22(33)27-9-12-31-15-28-19-13-16(7-8-20(19)31)21(32)30-10-2-1-3-11-30/h4-8,13-15H,1-3,9-12H2,(H2,27,29,33)

InChI Key

RDXNCYHKAQVGTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.420

Water Solubility, LogSw

-3.71

Polar Surface Area

60.788

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L748-0110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L748-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0110?
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What is the minimum amount of L748-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0110
  • 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 L748-0110 available by request