D031-0049 Screening compound: 3-(2,5-dimethoxybenzoyl)-1-(4-phenyl-1,3-thiazol-2-yl)indolizin-2-amine

D031-0049 Screening compound: 3-(2,5-dimethoxybenzoyl)-1-(4-phenyl-1,3-thiazol-2-yl)indolizin-2-amine
D031-0049 Screening compound: 3-(2,5-dimethoxybenzoyl)-1-(4-phenyl-1,3-thiazol-2-yl)indolizin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D031-0049
3-(2,5-dimethoxybenzoyl)-1-(4-phenyl-1,3-thiazol-2-yl)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

D031-0049

Molecular Formula

C26H21N3O3S (C26 H21 N3 O3 S)

Compound Name

3-(2,5-dimethoxybenzoyl)-1-(4-phenyl-1,3-thiazol-2-yl)indolizin-2-amine

IUPAC name

3-(25-dimethoxybenzoyl)-1-(4-phenyl-13-thiazol-2-yl)indolizin-2-amine

SMILES

COc(cc1)cc(C(c(n(cccc2)c2c2-c3nc(-c4ccccc4)cs3)c2N)=O)c1OC

InChI

InChI=1S/C26H21N3O3S/c1-31-17-11-12-21(32-2)18(14-17)25(30)24-23(27)22(20-10-6-7-13-29(20)24)26-28-19(15-33-26)16-8-4-3-5-9-16/h3-15H,27H2,1-2H3

InChI Key

FRDRXDXAPAGUCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

5.384

Water Solubility, LogSw

-5.64

Polar Surface Area

56.187

Acid Dissociation Constant (pKa)

23.85

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D031-0049 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D031-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D031-0049?
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What is the minimum amount of D031-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D031-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D031-0049
  • 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 D031-0049 available by request