L748-0084 Screening compound: 1-(2-methoxy-5-methylphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

L748-0084 Screening compound: 1-(2-methoxy-5-methylphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea
L748-0084 Screening compound: 1-(2-methoxy-5-methylphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0084
1-(2-methoxy-5-methylphenyl)-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

L748-0084

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(NC(NCCn2c(ccc(C(N3CCCC3)=O)c3)c3nc2)=O)c1OC

InChI

InChI=1S/C23H27N5O3/c1-16-5-8-21(31-2)19(13-16)26-23(30)24-9-12-28-15-25-18-14-17(6-7-20(18)28)22(29)27-10-3-4-11-27/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,24,26,30)

InChI Key

CGKLZIOGQPTARG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

1.928

Water Solubility, LogSw

-2.70

Polar Surface Area

68.087

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L748-0084 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L748-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0084?
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What is the minimum amount of L748-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0084
  • 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 L748-0084 available by request