V017-1527 Screening compound: 3-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2-methoxyphenyl)-3-(2-methylpropyl)urea

V017-1527 Screening compound: 3-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2-methoxyphenyl)-3-(2-methylpropyl)urea
V017-1527 Screening compound: 3-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2-methoxyphenyl)-3-(2-methylpropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-1527
3-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2-methoxyphenyl)-3-(2-methylpropyl)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

V017-1527

Molecular Formula

C24H28ClN3O2 (C24 H28 ClN3 O2)

Compound Name

3-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2-methoxyphenyl)-3-(2-methylpropyl)urea

IUPAC name

3-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2-methoxyphenyl)-3-(2-methylpropyl)urea

SMILES

CC(C)CN(Cc1cccn1Cc(cccc1)c1Cl)C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C24H28ClN3O2/c1-18(2)15-28(24(29)26-22-12-6-7-13-23(22)30-3)17-20-10-8-14-27(20)16-19-9-4-5-11-21(19)25/h4-14,18H,15-17H2,1-3H3,(H,26,29)

InChI Key

AERWVMWSAFBEFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19990280

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.954

Distribution Coefficient, logD

5.954

Water Solubility, LogSw

-6.04

Polar Surface Area

34.273

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V017-1527 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-1527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1527?
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What is the minimum amount of V017-1527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1527
  • 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 V017-1527 available by request