D278-1004 Screening compound: N-{4-[2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetyl]phenyl}acetamide

D278-1004 Screening compound: N-{4-[2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetyl]phenyl}acetamide
D278-1004 Screening compound: N-{4-[2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-1004
N-{4-[2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetyl]phenyl}acetamide

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

D278-1004

Molecular Formula

C21H18N4O2S (C21 H18 N4 O2 S)

Compound Name

N-{4-[2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetyl]phenyl}acetamide

IUPAC name

N-{4-[2-({5-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)acetyl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1C(CSc1nnc2n1c(cccc1)c1c(C)c2)=O)=O

InChI

InChI=1S/C21H18N4O2S/c1-13-11-20-23-24-21(25(20)18-6-4-3-5-17(13)18)28-12-19(27)15-7-9-16(10-8-15)22-14(2)26/h3-11H,12H2,1-2H3,(H,22,26)

InChI Key

ZPTVVDIYJJEKNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06488686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.47

Polar Surface Area

57.591

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D278-1004 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D278-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-1004?
Check Price and Availability of D278-1004, 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 D278-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-1004
  • 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 D278-1004 available by request