8018-1940 Screening compound: 3-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-butyl-1-[3-(trifluoromethyl)phenyl]urea

8018-1940 Screening compound: 3-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-butyl-1-[3-(trifluoromethyl)phenyl]urea
8018-1940 Screening compound: 3-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-butyl-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1940
3-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-butyl-1-[3-(trifluoromethyl)phenyl]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

8018-1940

Molecular Formula

C22H23F3N2O3 (C22 H23 F3 N2 O3)

Compound Name

3-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-butyl-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-butyl-1-[3-(trifluoromethyl)phenyl]urea

SMILES

CCCCN(CC(c1cc(cccc2)c2o1)O)C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C22H23F3N2O3/c1-2-3-11-27(14-18(28)20-12-15-7-4-5-10-19(15)30-20)21(29)26-17-9-6-8-16(13-17)22(23,24)25/h4-10,12-13,18,28H,2-3,11,14H2,1H3,(H,26,29)/t18-/m0/s1

InChI Key

MLOFZINHHRPJDW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07657181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.807

Distribution Coefficient, logD

5.807

Water Solubility, LogSw

-6.16

Polar Surface Area

49.694

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

8018-1940 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1940?
Check Price and Availability of 8018-1940, 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 8018-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1940
  • 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 8018-1940 available by request