L748-0069 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

L748-0069 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea
L748-0069 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0069
1-(5-chloro-2,4-dimethoxyphenyl)-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

L748-0069

Molecular Formula

C23H26ClN5O4 (C23 H26 ClN5 O4)

Compound Name

1-(5-chloro-2,4-dimethoxyphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

IUPAC name

1-(5-chloro-24-dimethoxyphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-13-benzodiazol-1-yl]ethyl}urea

SMILES

COc(c(NC(NCCn1c(ccc(C(N2CCCC2)=O)c2)c2nc1)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C23H26ClN5O4/c1-32-20-13-21(33-2)18(12-16(20)24)27-23(31)25-7-10-29-14-26-17-11-15(5-6-19(17)29)22(30)28-8-3-4-9-28/h5-6,11-14H,3-4,7-10H2,1-2H3,(H2,25,27,31)

InChI Key

NGRFZPJTSIOORY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-3.41

Polar Surface Area

75.717

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L748-0069 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L748-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0069?
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What is the minimum amount of L748-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0069
  • 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 L748-0069 available by request