K416-0087 Screening compound: N-(4-bromophenyl)-1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

K416-0087 Screening compound: N-(4-bromophenyl)-1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
K416-0087 Screening compound: N-(4-bromophenyl)-1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K416-0087
N-(4-bromophenyl)-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

K416-0087

Molecular Formula

C18H16BrN3S2 (C18 H16 BrN3 S2)

Compound Name

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

IUPAC name

N-(4-bromophenyl)-1-(thiophen-2-yl)-1H2H3H4H-pyrrolo[12-a]pyrazine-2-carbothioamide

SMILES

S=C(Nc(cc1)ccc1Br)N(CCn1c2ccc1)C2c1cccs1

InChI

InChI=1S/C18H16BrN3S2/c19-13-5-7-14(8-6-13)20-18(23)22-11-10-21-9-1-3-15(21)17(22)16-4-2-12-24-16/h1-9,12,17H,10-11H2,(H,20,23)/t17-/m0/s1

InChI Key

CEPIRFWJYNAOJQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04451331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.38

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

5.287

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-5.71

Polar Surface Area

13.629

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

K416-0087 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K416-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K416-0087?
Check Price and Availability of K416-0087, 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 K416-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K416-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K416-0087
  • 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 K416-0087 available by request