C301-8688 Screening compound: N-[4-methoxy-3-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)phenyl]furan-2-carboxamide

C301-8688 Screening compound: N-[4-methoxy-3-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)phenyl]furan-2-carboxamide
C301-8688 Screening compound: N-[4-methoxy-3-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8688
N-[4-methoxy-3-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)phenyl]furan-2-carboxamide

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

C301-8688

Molecular Formula

C27H24N6O3 (C27 H24 N6 O3)

Compound Name

N-[4-methoxy-3-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)phenyl]furan-2-carboxamide

IUPAC name

N-[4-methoxy-3-({2-phenyl-5H6H7H8H-[124]triazolo[32-b]quinazolin-9-yl}amino)phenyl]furan-2-carboxamide

SMILES

COc(ccc(NC(c1ccco1)=O)c1)c1Nc1c(CCCC2)c2nc2nc(-c3ccccc3)nn12

InChI

InChI=1S/C27H24N6O3/c1-35-22-14-13-18(28-26(34)23-12-7-15-36-23)16-21(22)29-25-19-10-5-6-11-20(19)30-27-31-24(32-33(25)27)17-8-3-2-4-9-17/h2-4,7-9,12-16,29H,5-6,10-11H2,1H3,(H,28,34)

InChI Key

AQXRIYKEKYQNMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.055

Distribution Coefficient, logD

5.054

Water Solubility, LogSw

-4.70

Polar Surface Area

80.495

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C301-8688 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-8688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8688?
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What is the minimum amount of C301-8688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8688
  • 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 C301-8688 available by request