1611-0162 Screening compound: 1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea

1611-0162 Screening compound: 1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea
1611-0162 Screening compound: 1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-0162
1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)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

1611-0162

Molecular Formula

C19H21N3O3 (C19 H21 N3 O3)

Compound Name

1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea

IUPAC name

1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea

SMILES

CC(C1CC1)N(Cc1ccccc1)C(Nc1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C19H21N3O3/c1-14(16-10-11-16)21(13-15-6-3-2-4-7-15)19(23)20-17-8-5-9-18(12-17)22(24)25/h2-9,12,14,16H,10-11,13H2,1H3,(H,20,23)/t14-/m0/s1

InChI Key

CQXRHDJMSMHLGN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00225893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.33

Polar Surface Area

58.267

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

1611-0162 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1611-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-0162?
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What is the minimum amount of 1611-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-0162
  • 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 1611-0162 available by request