K416-0046 Screening compound: 1-(2,5-dimethoxyphenyl)-N-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

K416-0046 Screening compound: 1-(2,5-dimethoxyphenyl)-N-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
K416-0046 Screening compound: 1-(2,5-dimethoxyphenyl)-N-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K416-0046
1-(2,5-dimethoxyphenyl)-N-methyl-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

K416-0046

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

1-(2,5-dimethoxyphenyl)-N-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

IUPAC name

1-(25-dimethoxyphenyl)-N-methyl-1H2H3H4H-pyrrolo[12-a]pyrazine-2-carbothioamide

SMILES

CNC(N(CCn1c2ccc1)C2c(cc(cc1)OC)c1OC)=S

InChI

InChI=1S/C17H21N3O2S/c1-18-17(23)20-10-9-19-8-4-5-14(19)16(20)13-11-12(21-2)6-7-15(13)22-3/h4-8,11,16H,9-10H2,1-3H3,(H,18,23)/t16-/m1/s1

InChI Key

RPACCAICIOFFGJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04451281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.128

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-3.29

Polar Surface Area

29.529

Acid Dissociation Constant (pKa)

18.09

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

K416-0046 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K416-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K416-0046?
Check Price and Availability of K416-0046, 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 K416-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K416-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K416-0046
  • 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 K416-0046 available by request