8018-8873 Screening compound: N-{2-[(butylamino)(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide

8018-8873 Screening compound: N-{2-[(butylamino)(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide
8018-8873 Screening compound: N-{2-[(butylamino)(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8873
N-{2-[(butylamino)(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}-4-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

8018-8873

Molecular Formula

C28H30N4O4S (C28 H30 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(c(sc1nc(C)cc(COC)c11)c1NC(c(cc1)ccc1[N+]([O-])=O)=O)c1ccccc1

InChI

InChI=1S/C28H30N4O4S/c1-4-5-15-29-24(19-9-7-6-8-10-19)26-25(23-21(17-36-3)16-18(2)30-28(23)37-26)31-27(33)20-11-13-22(14-12-20)32(34)35/h6-14,16,24,29H,4-5,15,17H2,1-3H3,(H,31,33)/t24-/m1/s1

InChI Key

JGRPMBJROBKLTM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD09062920

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

518.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.88

Polar Surface Area

84.017

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8018-8873 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-8873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8873?
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What is the minimum amount of 8018-8873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8873
  • 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 8018-8873 available by request