L748-0027 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

L748-0027 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea
L748-0027 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0027
1-[3-(methylsulfanyl)phenyl]-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-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

L748-0027

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1cc(NC(NCCn2c(ccc(C(N3CCCC3)=O)c3)c3nc2)=O)ccc1

InChI

InChI=1S/C22H25N5O2S/c1-30-18-6-4-5-17(14-18)25-22(29)23-9-12-27-15-24-19-13-16(7-8-20(19)27)21(28)26-10-2-3-11-26/h4-8,13-15H,2-3,9-12H2,1H3,(H2,23,25,29)

InChI Key

BFLLTZHMCCLYEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-3.02

Polar Surface Area

61.154

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L748-0027 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L748-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0027?
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What is the minimum amount of L748-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0027
  • 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 L748-0027 available by request