C291-0130 Screening compound: 3-amino-N5-(2,4-dimethylphenyl)-N2-(4-methoxyphenyl)-6-methyl-4-(thiophen-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide

C291-0130 Screening compound: 3-amino-N5-(2,4-dimethylphenyl)-N2-(4-methoxyphenyl)-6-methyl-4-(thiophen-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide
C291-0130 Screening compound: 3-amino-N5-(2,4-dimethylphenyl)-N2-(4-methoxyphenyl)-6-methyl-4-(thiophen-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C291-0130
3-amino-N5-(2,4-dimethylphenyl)-N2-(4-methoxyphenyl)-6-methyl-4-(thiophen-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide

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

C291-0130

Molecular Formula

C29H26N4O3S2 (C29 H26 N4 O3 S2)

Compound Name

3-amino-N5-(2,4-dimethylphenyl)-N2-(4-methoxyphenyl)-6-methyl-4-(thiophen-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide

IUPAC name

3-amino-N5-(24-dimethylphenyl)-N2-(4-methoxyphenyl)-6-methyl-4-(thiophen-2-yl)thieno[23-b]pyridine-25-dicarboxamide

SMILES

Cc(cc1)cc(C)c1NC(c(c(-c1cccs1)c12)c(C)nc1sc(C(Nc(cc1)ccc1OC)=O)c2N)=O

InChI

InChI=1S/C29H26N4O3S2/c1-15-7-12-20(16(2)14-15)33-27(34)22-17(3)31-29-24(23(22)21-6-5-13-37-21)25(30)26(38-29)28(35)32-18-8-10-19(36-4)11-9-18/h5-14H,30H2,1-4H3,(H,32,35)(H,33,34)

InChI Key

DXXNFWZUKKMDPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.404

Distribution Coefficient, logD

6.404

Water Solubility, LogSw

-5.90

Polar Surface Area

83.697

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

C291-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C291-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C291-0130?
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What is the minimum amount of C291-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C291-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C291-0130
  • 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 C291-0130 available by request