L748-0073 Screening compound: 1-(4-bromo-2-fluorophenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

L748-0073 Screening compound: 1-(4-bromo-2-fluorophenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea
L748-0073 Screening compound: 1-(4-bromo-2-fluorophenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0073
1-(4-bromo-2-fluorophenyl)-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

L748-0073

Molecular Formula

C21H21BrFN5O2 (C21 H21 BrFN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1n(CCNC(Nc(ccc(Br)c1)c1F)=O)cn2)N1CCCC1

InChI

InChI=1S/C21H21BrFN5O2/c22-15-4-5-17(16(23)12-15)26-21(30)24-7-10-28-13-25-18-11-14(3-6-19(18)28)20(29)27-8-1-2-9-27/h3-6,11-13H,1-2,7-10H2,(H2,24,26,30)

InChI Key

GUWKJOPXZVUYAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.33

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

2.774

Distribution Coefficient, logD

2.769

Water Solubility, LogSw

-3.26

Polar Surface Area

60.456

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L748-0073 in Drug Discovery

Included in Screening Libraries

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

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 L748-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0073?
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What is the minimum amount of L748-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0073
  • 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 L748-0073 available by request