L361-1678 Screening compound: 1-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-(5-chloro-2-methoxyphenyl)urea

L361-1678 Screening compound: 1-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-(5-chloro-2-methoxyphenyl)urea
L361-1678 Screening compound: 1-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-(5-chloro-2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L361-1678
1-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-(5-chloro-2-methoxyphenyl)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

L361-1678

Molecular Formula

C23H21ClN4O2 (C23 H21 ClN4 O2)

Compound Name

1-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-(5-chloro-2-methoxyphenyl)urea

IUPAC name

1-{2-[2-(1H-13-benzodiazol-2-yl)ethyl]phenyl}-3-(5-chloro-2-methoxyphenyl)urea

SMILES

COc(ccc(Cl)c1)c1NC(Nc1c(CCc2nc(cccc3)c3[nH]2)cccc1)=O

InChI

InChI=1S/C23H21ClN4O2/c1-30-21-12-11-16(24)14-20(21)28-23(29)27-17-7-3-2-6-15(17)10-13-22-25-18-8-4-5-9-19(18)26-22/h2-9,11-12,14H,10,13H2,1H3,(H,25,26)(H2,27,28,29)

InChI Key

QESAHNWBHJLSPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.575

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-5.83

Polar Surface Area

58.786

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L361-1678 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with L361-1678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L361-1678?
Check Price and Availability of L361-1678, 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 L361-1678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L361-1678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L361-1678
  • 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 L361-1678 available by request