K416-0093 Screening compound: N-(2,3-dimethylphenyl)-1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

K416-0093 Screening compound: N-(2,3-dimethylphenyl)-1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
K416-0093 Screening compound: N-(2,3-dimethylphenyl)-1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K416-0093
N-(2,3-dimethylphenyl)-1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

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

K416-0093

Molecular Formula

C20H21N3S2 (C20 H21 N3 S2)

Compound Name

N-(2,3-dimethylphenyl)-1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

IUPAC name

N-(23-dimethylphenyl)-1-(thiophen-2-yl)-1H2H3H4H-pyrrolo[12-a]pyrazine-2-carbothioamide

SMILES

Cc1cccc(NC(N(CCn2c3ccc2)C3c2cccs2)=S)c1C

InChI

InChI=1S/C20H21N3S2/c1-14-6-3-7-16(15(14)2)21-20(24)23-12-11-22-10-4-8-17(22)19(23)18-9-5-13-25-18/h3-10,13,19H,11-12H2,1-2H3,(H,21,24)/t19-/m0/s1

InChI Key

BKKKZLSMMCEWPD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04451336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.427

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-5.55

Polar Surface Area

12.931

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

K416-0093 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K416-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K416-0093?
Check Price and Availability of K416-0093, 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 K416-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K416-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K416-0093
  • 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 K416-0093 available by request