D031-0264 Screening compound: 1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-ethoxybenzoyl)indolizin-2-amine

D031-0264 Screening compound: 1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-ethoxybenzoyl)indolizin-2-amine
D031-0264 Screening compound: 1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-ethoxybenzoyl)indolizin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D031-0264
1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-ethoxybenzoyl)indolizin-2-amine

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

D031-0264

Molecular Formula

C27H21N3O4S (C27 H21 N3 O4 S)

Compound Name

1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-ethoxybenzoyl)indolizin-2-amine

IUPAC name

1-[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]-3-(4-ethoxybenzoyl)indolizin-2-amine

SMILES

CCOc(cc1)ccc1C(c(n(cccc1)c1c1-c2nc(-c(cc3)cc4c3OCO4)cs2)c1N)=O

InChI

InChI=1S/C27H21N3O4S/c1-2-32-18-9-6-16(7-10-18)26(31)25-24(28)23(20-5-3-4-12-30(20)25)27-29-19(14-35-27)17-8-11-21-22(13-17)34-15-33-21/h3-14H,2,15,28H2,1H3

InChI Key

AAQMPADPGKCXLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.765

Distribution Coefficient, logD

5.765

Water Solubility, LogSw

-5.61

Polar Surface Area

65.252

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D031-0264 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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 D031-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D031-0264?
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What is the minimum amount of D031-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D031-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D031-0264
  • 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 D031-0264 available by request