D231-0052 Screening compound: 2-(dimethylamino)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(prop-2-en-1-yl)acetamide

D231-0052 Screening compound: 2-(dimethylamino)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(prop-2-en-1-yl)acetamide
D231-0052 Screening compound: 2-(dimethylamino)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D231-0052
2-(dimethylamino)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(prop-2-en-1-yl)acetamide

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

D231-0052

Molecular Formula

C18H20N4OS (C18 H20 N4 OS)

Compound Name

2-(dimethylamino)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(prop-2-en-1-yl)acetamide

IUPAC name

2-(dimethylamino)-N-[4-(1H-indol-3-yl)-13-thiazol-2-yl]-N-(prop-2-en-1-yl)acetamide

SMILES

CN(C)CC(N(CC=C)c1nc(-c2c[nH]c3c2cccc3)cs1)=O

InChI

InChI=1S/C18H20N4OS/c1-4-9-22(17(23)11-21(2)3)18-20-16(12-24-18)14-10-19-15-8-6-5-7-13(14)15/h4-8,10,12,19H,1,9,11H2,2-3H3

InChI Key

NOFMJZIBJDUAMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07081795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.36

Polar Surface Area

38.891

Acid Dissociation Constant (pKa)

18.47

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D231-0052 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D231-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D231-0052?
Check Price and Availability of D231-0052, 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 D231-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D231-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D231-0052
  • 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 D231-0052 available by request