L748-0005 Screening compound: 1-(4-chlorophenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

L748-0005 Screening compound: 1-(4-chlorophenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea
L748-0005 Screening compound: 1-(4-chlorophenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0005
1-(4-chlorophenyl)-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

L748-0005

Molecular Formula

C21H22ClN5O2 (C21 H22 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1n(CCNC(Nc(cc1)ccc1Cl)=O)cn2)N1CCCC1

InChI

InChI=1S/C21H22ClN5O2/c22-16-4-6-17(7-5-16)25-21(29)23-9-12-27-14-24-18-13-15(3-8-19(18)27)20(28)26-10-1-2-11-26/h3-8,13-14H,1-2,9-12H2,(H2,23,25,29)

InChI Key

AGBRVAFOOPOROO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

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

2.687

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.69

Polar Surface Area

61.154

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L748-0005 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 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 L748-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0005?
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What is the minimum amount of L748-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0005
  • 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 L748-0005 available by request