8018-6770 Screening compound: N~1~-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-nitrobenzamide

8018-6770 Screening compound: N~1~-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-nitrobenzamide
8018-6770 Screening compound: N~1~-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6770
N~1~-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-nitrobenzamide

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

8018-6770

Molecular Formula

C24H21N3O5S (C24 H21 N3 O5 S)

Compound Name

N~1~-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-nitrobenzamide

IUPAC name

N-{2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[23-b]pyridin-3-yl}-2-nitrobenzamide

SMILES

Cc1cc(COC)c(c(NC(c(cccc2)c2[N+]([O-])=O)=O)c(C(c2ccccc2)O)s2)c2n1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.420

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.99

Polar Surface Area

88.379

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

8018-6770 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 8018-6770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6770?
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What is the minimum amount of 8018-6770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6770
  • 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 8018-6770 available by request