8017-7356 Screening compound: butyl 3-(benzoylamino)-6-(4-chlorophenyl)-5-(1H-indol-3-yl)-2-pyrazinecarboxylate

8017-7356 Screening compound: butyl 3-(benzoylamino)-6-(4-chlorophenyl)-5-(1H-indol-3-yl)-2-pyrazinecarboxylate
8017-7356 Screening compound: butyl 3-(benzoylamino)-6-(4-chlorophenyl)-5-(1H-indol-3-yl)-2-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7356
butyl 3-(benzoylamino)-6-(4-chlorophenyl)-5-(1H-indol-3-yl)-2-pyrazinecarboxylate

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

8017-7356

Molecular Formula

C30H25ClN4O3 (C30 H25 ClN4 O3)

Compound Name

butyl 3-(benzoylamino)-6-(4-chlorophenyl)-5-(1H-indol-3-yl)-2-pyrazinecarboxylate

IUPAC name

butyl 3-benzamido-6-(4-chlorophenyl)-5-(1H-indol-3-yl)pyrazine-2-carboxylate

SMILES

CCCCOC(c1c(NC(c2ccccc2)=O)nc(-c2c[nH]c3c2cccc3)c(-c(cc2)ccc2Cl)n1)=O

InChI

InChI=1S/C30H25ClN4O3/c1-2-3-17-38-30(37)27-28(35-29(36)20-9-5-4-6-10-20)34-26(23-18-32-24-12-8-7-11-22(23)24)25(33-27)19-13-15-21(31)16-14-19/h4-16,18,32H,2-3,17H2,1H3,(H,34,35,36)

InChI Key

DKHKCAAFPKABGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.966

Distribution Coefficient, logD

5.395

Water Solubility, LogSw

-6.34

Polar Surface Area

73.888

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8017-7356 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8017-7356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7356?
Check Price and Availability of 8017-7356, 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 8017-7356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7356
  • 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 8017-7356 available by request