D686-0014 Screening compound: 2-(ethylamino)-5-[3-(4-ethylphenyl)-1H-pyrazole-5-amido]-1,3-thiazole-4-carboxamide

D686-0014 Screening compound: 2-(ethylamino)-5-[3-(4-ethylphenyl)-1H-pyrazole-5-amido]-1,3-thiazole-4-carboxamide
D686-0014 Screening compound: 2-(ethylamino)-5-[3-(4-ethylphenyl)-1H-pyrazole-5-amido]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D686-0014
2-(ethylamino)-5-[3-(4-ethylphenyl)-1H-pyrazole-5-amido]-1,3-thiazole-4-carboxamide

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

D686-0014

Molecular Formula

C18H20N6O2S (C18 H20 N6 O2 S)

Compound Name

2-(ethylamino)-5-[3-(4-ethylphenyl)-1H-pyrazole-5-amido]-1,3-thiazole-4-carboxamide

IUPAC name

2-(ethylamino)-5-[3-(4-ethylphenyl)-1H-pyrazole-5-amido]-13-thiazole-4-carboxamide

SMILES

CCc(cc1)ccc1-c1n[nH]c(C(Nc2c(C(N)=O)nc(NCC)s2)=O)c1

InChI

InChI=1S/C18H20N6O2S/c1-3-10-5-7-11(8-6-10)12-9-13(24-23-12)16(26)22-17-14(15(19)25)21-18(27-17)20-4-2/h5-9H,3-4H2,1-2H3,(H2,19,25)(H,20,21)(H,22,26)(H,23,24)

InChI Key

FKLXYNRJXWQEDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.64

Polar Surface Area

99.603

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D686-0014 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D686-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D686-0014?
Check Price and Availability of D686-0014, 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 D686-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D686-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D686-0014
  • 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 D686-0014 available by request