K279-1066 Screening compound: 2-(5-{[2-(4-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)ACETAMIDE

K279-1066 Screening compound: 2-(5-{[2-(4-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)ACETAMIDE
K279-1066 Screening compound: 2-(5-{[2-(4-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-1066
2-(5-{[2-(4-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)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

K279-1066

Molecular Formula

C25H20FN5O3S2 (C25 H20 FN5 O3 S2)

Compound Name

2-(5-{[2-(4-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CC1N2C(SCC(Nc(cc3)ccc3F)=O)=Nc(cccc3)c3C2=NC1=O)NCc1cccs1

InChI

InChI=1S/C25H20FN5O3S2/c26-15-7-9-16(10-8-15)28-22(33)14-36-25-29-19-6-2-1-5-18(19)23-30-24(34)20(31(23)25)12-21(32)27-13-17-4-3-11-35-17/h1-11,20H,12-14H2,(H,27,32)(H,28,33)/t20-/m0/s1

InChI Key

LEUNPXAPLJIXRQ-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

2.734

Water Solubility, LogSw

-3.66

Polar Surface Area

83.791

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

K279-1066 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K279-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-1066?
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What is the minimum amount of K279-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-1066
  • 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 K279-1066 available by request