L317-0177 Screening compound: 3-[4-(5-chloro-1H-indol-2-yl)phenyl]-1-cyclohexylurea

L317-0177 Screening compound: 3-[4-(5-chloro-1H-indol-2-yl)phenyl]-1-cyclohexylurea
L317-0177 Screening compound: 3-[4-(5-chloro-1H-indol-2-yl)phenyl]-1-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound L317-0177
3-[4-(5-chloro-1H-indol-2-yl)phenyl]-1-cyclohexylurea

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

L317-0177

Molecular Formula

C21H22ClN3O (C21 H22 ClN3 O)

Compound Name

3-[4-(5-chloro-1H-indol-2-yl)phenyl]-1-cyclohexylurea

IUPAC name

3-[4-(5-chloro-1H-indol-2-yl)phenyl]-1-cyclohexylurea

SMILES

O=C(NC1CCCCC1)Nc(cc1)ccc1-c1cc(cc(cc2)Cl)c2[nH]1

InChI

InChI=1S/C21H22ClN3O/c22-16-8-11-19-15(12-16)13-20(25-19)14-6-9-18(10-7-14)24-21(26)23-17-4-2-1-3-5-17/h6-13,17,25H,1-5H2,(H2,23,24,26)

InChI Key

XGAHOTGDIMSLDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.110

Distribution Coefficient, logD

6.110

Water Solubility, LogSw

-6.42

Polar Surface Area

42.666

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L317-0177 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L317-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L317-0177?
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What is the minimum amount of L317-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L317-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L317-0177
  • 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 L317-0177 available by request