C095-0375 Screening compound: N~1~-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-[2-thioxo-1,3-benzoxazol-3(2H)-yl]propanamide

C095-0375 Screening compound: N~1~-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-[2-thioxo-1,3-benzoxazol-3(2H)-yl]propanamide
C095-0375 Screening compound: N~1~-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-[2-thioxo-1,3-benzoxazol-3(2H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0375
N~1~-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-[2-thioxo-1,3-benzoxazol-3(2H)-yl]propanamide

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

C095-0375

Molecular Formula

C26H29N5O2S (C26 H29 N5 O2 S)

Compound Name

N~1~-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-[2-thioxo-1,3-benzoxazol-3(2H)-yl]propanamide

IUPAC name

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(CCN(c(cccc3)c3O3)C3=S)=O)c2n1

InChI

InChI=1S/C26H29N5O2S/c1-3-29-12-14-30(15-13-29)24-16-18(2)20-17-19(8-9-21(20)28-24)27-25(32)10-11-31-22-6-4-5-7-23(22)33-26(31)34/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,32)

InChI Key

KIKASHBIPWWKBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.933

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.52

Polar Surface Area

47.786

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

C095-0375 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C095-0375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0375?
Check Price and Availability of C095-0375, 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 C095-0375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0375
  • 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 C095-0375 available by request