D031-0235 Screening compound: 3-(2H-1,3-benzodioxole-5-carbonyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-2-amine

D031-0235 Screening compound: 3-(2H-1,3-benzodioxole-5-carbonyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-2-amine
D031-0235 Screening compound: 3-(2H-1,3-benzodioxole-5-carbonyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D031-0235
3-(2H-1,3-benzodioxole-5-carbonyl)-1-[4-(4-fluorophenyl)-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

D031-0235

Molecular Formula

C25H16FN3O3S (C25 H16 FN3 O3 S)

Compound Name

3-(2H-1,3-benzodioxole-5-carbonyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-2-amine

IUPAC name

3-(2H-13-benzodioxole-5-carbonyl)-1-[4-(4-fluorophenyl)-13-thiazol-2-yl]indolizin-2-amine

SMILES

Nc1c(C(c(cc2)cc3c2OCO3)=O)n(cccc2)c2c1-c1nc(-c(cc2)ccc2F)cs1

InChI

InChI=1S/C25H16FN3O3S/c26-16-7-4-14(5-8-16)17-12-33-25(28-17)21-18-3-1-2-10-29(18)23(22(21)27)24(30)15-6-9-19-20(11-15)32-13-31-19/h1-12H,13,27H2

InChI Key

ZICVFGOCKRTEOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.601

Distribution Coefficient, logD

5.601

Water Solubility, LogSw

-5.97

Polar Surface Area

58.128

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

D031-0235 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D031-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D031-0235?
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What is the minimum amount of D031-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D031-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D031-0235
  • 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 D031-0235 available by request