2501-0825 Screening compound: N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

2501-0825 Screening compound: N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
2501-0825 Screening compound: N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2501-0825
N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

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

2501-0825

Molecular Formula

C28H26N2O2S (C28 H26 N2 O2 S)

Compound Name

N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

O=C(Cc1ccccc1)Nc1c(C(Nc2cccc3ccccc23)=O)c(CCCCC2)c2s1

InChI

InChI=1S/C28H26N2O2S/c31-25(18-19-10-3-1-4-11-19)30-28-26(22-15-5-2-6-17-24(22)33-28)27(32)29-23-16-9-13-20-12-7-8-14-21(20)23/h1,3-4,7-14,16H,2,5-6,15,17-18H2,(H,29,32)(H,30,31)

InChI Key

UGCMSVIGXQUFFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.167

Distribution Coefficient, logD

5.764

Water Solubility, LogSw

-7.03

Polar Surface Area

45.284

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

2501-0825 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 2501-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2501-0825?
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What is the minimum amount of 2501-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2501-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2501-0825
  • 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 2501-0825 available by request