F985-1044 Screening compound: N-butyl-3-{2-[({[(4-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide

F985-1044 Screening compound: N-butyl-3-{2-[({[(4-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide
F985-1044 Screening compound: N-butyl-3-{2-[({[(4-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F985-1044
N-butyl-3-{2-[({[(4-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide

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

F985-1044

Molecular Formula

C24H28N4O3S (C24 H28 N4 O3 S)

Compound Name

N-butyl-3-{2-[({[(4-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide

IUPAC name

N-butyl-3-{2-[({[(4-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide

SMILES

CCCCNC(c1cccc(-n2c(SCC(NCc(cc3)ccc3OC)=O)ncc2)c1)=O

InChI

InChI=1S/C24H28N4O3S/c1-3-4-12-25-23(30)19-6-5-7-20(15-19)28-14-13-26-24(28)32-17-22(29)27-16-18-8-10-21(31-2)11-9-18/h5-11,13-15H,3-4,12,16-17H2,1-2H3,(H,25,30)(H,27,29)

InChI Key

GDLBIBPRHDGGAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27207776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.75

Polar Surface Area

69.059

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F985-1044 in Drug Discovery

Included in Screening Libraries

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

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 F985-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F985-1044?
Check Price and Availability of F985-1044, 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 F985-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F985-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F985-1044
  • 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 F985-1044 available by request