L748-0072 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

L748-0072 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea
L748-0072 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{2-[5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0072
1-(3-chloro-2-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

L748-0072

Molecular Formula

C22H24ClN5O2 (C22 H24 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(NCCn1c(ccc(C(N2CCCC2)=O)c2)c2nc1)=O)ccc1)c1Cl

InChI

InChI=1S/C22H24ClN5O2/c1-15-17(23)5-4-6-18(15)26-22(30)24-9-12-28-14-25-19-13-16(7-8-20(19)28)21(29)27-10-2-3-11-27/h4-8,13-14H,2-3,9-12H2,1H3,(H2,24,26,30)

InChI Key

IRCCJCREJPVVNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.92

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

2.901

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-3.50

Polar Surface Area

60.456

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L748-0072 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L748-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0072?
Check Price and Availability of L748-0072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L748-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0072
  • 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 L748-0072 available by request