D031-0244 Screening compound: 1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2H-1,3-benzodioxole-5-carbonyl)indolizin-2-amine

D031-0244 Screening compound: 1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2H-1,3-benzodioxole-5-carbonyl)indolizin-2-amine
D031-0244 Screening compound: 1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2H-1,3-benzodioxole-5-carbonyl)indolizin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D031-0244
1-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2H-1,3-benzodioxole-5-carbonyl)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

D031-0244

Molecular Formula

C26H17N3O5S (C26 H17 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H17N3O5S/c27-23-22(26-28-16(11-35-26)14-4-6-18-20(9-14)33-12-31-18)17-3-1-2-8-29(17)24(23)25(30)15-5-7-19-21(10-15)34-13-32-19/h1-11H,12-13,27H2

InChI Key

RRGIXHRRFQZXBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.371

Distribution Coefficient, logD

5.371

Water Solubility, LogSw

-5.86

Polar Surface Area

75.243

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D031-0244 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D031-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D031-0244?
Check Price and Availability of D031-0244, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D031-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D031-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D031-0244
  • 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 D031-0244 available by request