L279-0117 Screening compound: 1-(4-ethoxyphenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}urea

L279-0117 Screening compound: 1-(4-ethoxyphenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}urea
L279-0117 Screening compound: 1-(4-ethoxyphenyl)-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 L279-0117
1-(4-ethoxyphenyl)-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

L279-0117

Molecular Formula

C24H29N5O3 (C24 H29 N5 O3)

Compound Name

1-(4-ethoxyphenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}urea

IUPAC name

1-(4-ethoxyphenyl)-3-methyl-3-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-13-benzodiazol-2-yl]methyl}urea

SMILES

CCOc(cc1)ccc1NC(N(C)Cc1nc(cc(cc2)C(N3CCCC3)=O)c2n1C)=O

InChI

InChI=1S/C24H29N5O3/c1-4-32-19-10-8-18(9-11-19)25-24(31)27(2)16-22-26-20-15-17(7-12-21(20)28(22)3)23(30)29-13-5-6-14-29/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,25,31)

InChI Key

ICNAFHKKGROVRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.29

Polar Surface Area

61.334

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L279-0117 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L279-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L279-0117?
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What is the minimum amount of L279-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L279-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L279-0117
  • 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 L279-0117 available by request