L748-0058 Screening compound: N-(2,3-dimethylphenyl)-N'-{2-[5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-1-yl]ethyl}urea

L748-0058 Screening compound: N-(2,3-dimethylphenyl)-N'-{2-[5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-1-yl]ethyl}urea
L748-0058 Screening compound: N-(2,3-dimethylphenyl)-N'-{2-[5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0058
N-(2,3-dimethylphenyl)-N'-{2-[5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-1-yl]ethyl}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

L748-0058

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

N-(2,3-dimethylphenyl)-N'-{2-[5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-1-yl]ethyl}urea

IUPAC name

1-(23-dimethylphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-13-benzodiazol-1-yl]ethyl}urea

SMILES

Cc1cccc(NC(NCCn2c(ccc(C(N3CCCC3)=O)c3)c3nc2)=O)c1C

InChI

InChI=1S/C23H27N5O2/c1-16-6-5-7-19(17(16)2)26-23(30)24-10-13-28-15-25-20-14-18(8-9-21(20)28)22(29)27-11-3-4-12-27/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,24,26,30)

InChI Key

YJRRWQHZNPKKMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-2.94

Polar Surface Area

60.456

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

L748-0058 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L748-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0058?
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What is the minimum amount of L748-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0058
  • 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 L748-0058 available by request