K416-0029 Screening compound: N-(2-ethyl-6-methylphenyl)-1-(4-methoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

K416-0029 Screening compound: N-(2-ethyl-6-methylphenyl)-1-(4-methoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
K416-0029 Screening compound: N-(2-ethyl-6-methylphenyl)-1-(4-methoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K416-0029
N-(2-ethyl-6-methylphenyl)-1-(4-methoxyphenyl)-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

K416-0029

Molecular Formula

C24H27N3OS (C24 H27 N3 OS)

Compound Name

N-(2-ethyl-6-methylphenyl)-1-(4-methoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-1-(4-methoxyphenyl)-1H2H3H4H-pyrrolo[12-a]pyrazine-2-carbothioamide

SMILES

CCc(cccc1C)c1NC(N(CCn1c2ccc1)C2c(cc1)ccc1OC)=S

InChI

InChI=1S/C24H27N3OS/c1-4-18-8-5-7-17(2)22(18)25-24(29)27-16-15-26-14-6-9-21(26)23(27)19-10-12-20(28-3)13-11-19/h5-14,23H,4,15-16H2,1-3H3,(H,25,29)/t23-/m1/s1

InChI Key

DUVMSRGKAPFISI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD04451230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.641

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-5.55

Polar Surface Area

18.759

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

K416-0029 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K416-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K416-0029?
Check Price and Availability of K416-0029, 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 K416-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K416-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K416-0029
  • 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 K416-0029 available by request