8014-8740 Screening compound: 7,7-dimethyl-5-(5-nitrofuran-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione

8014-8740 Screening compound: 7,7-dimethyl-5-(5-nitrofuran-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione
8014-8740 Screening compound: 7,7-dimethyl-5-(5-nitrofuran-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8740
7,7-dimethyl-5-(5-nitrofuran-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione

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

8014-8740

Molecular Formula

C17H16N4O6 (C17 H16 N4 O6)

Compound Name

7,7-dimethyl-5-(5-nitrofuran-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione

IUPAC name

77-dimethyl-5-(5-nitrofuran-2-yl)-1H2H3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-249-trione

SMILES

CC(C)(CC(C1c2ccc([N+]([O-])=O)o2)=C2NC(NC(N3)=O)=C1C3=O)CC2=O

InChI

InChI=1S/C17H16N4O6/c1-17(2)5-7-11(9-3-4-10(27-9)21(25)26)12-14(18-13(7)8(22)6-17)19-16(24)20-15(12)23/h3-4,11H,5-6H2,1-2H3,(H3,18,19,20,23,24)/t11-/m1/s1

InChI Key

FDVQVYZQAQUTFQ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03820578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.964

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-2.18

Polar Surface Area

114.789

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

8014-8740 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 8014-8740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8740?
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What is the minimum amount of 8014-8740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8740
  • 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 8014-8740 available by request