8017-3954 Screening compound: 3,5-dimethoxy-N~2~-[1-(1-phenylethyl)-1H-1,3-benzimidazol-5-yl]-2-naphthamide

8017-3954 Screening compound: 3,5-dimethoxy-N~2~-[1-(1-phenylethyl)-1H-1,3-benzimidazol-5-yl]-2-naphthamide
8017-3954 Screening compound: 3,5-dimethoxy-N~2~-[1-(1-phenylethyl)-1H-1,3-benzimidazol-5-yl]-2-naphthamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3954
3,5-dimethoxy-N~2~-[1-(1-phenylethyl)-1H-1,3-benzimidazol-5-yl]-2-naphthamide

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

8017-3954

Molecular Formula

C28H25N3O3 (C28 H25 N3 O3)

Compound Name

3,5-dimethoxy-N~2~-[1-(1-phenylethyl)-1H-1,3-benzimidazol-5-yl]-2-naphthamide

IUPAC name

35-dimethoxy-N-[1-(1-phenylethyl)-1H-13-benzodiazol-5-yl]naphthalene-2-carboxamide

SMILES

CC(c1ccccc1)n1c(ccc(NC(c2cc3cccc(OC)c3cc2OC)=O)c2)c2nc1

InChI

InChI=1S/C28H25N3O3/c1-18(19-8-5-4-6-9-19)31-17-29-24-15-21(12-13-25(24)31)30-28(32)23-14-20-10-7-11-26(33-2)22(20)16-27(23)34-3/h4-18H,1-3H3,(H,30,32)/t18-/m0/s1

InChI Key

XLDYHDQYSXFXSS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06016493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.134

Distribution Coefficient, logD

6.132

Water Solubility, LogSw

-6.46

Polar Surface Area

48.915

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

8017-3954 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 8017-3954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3954?
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What is the minimum amount of 8017-3954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3954
  • 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 8017-3954 available by request