8009-3393 Screening compound: 7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidin-6-yl cyanide

8009-3393 Screening compound: 7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidin-6-yl cyanide
8009-3393 Screening compound: 7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3393
7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidin-6-yl cyanide

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

8009-3393

Molecular Formula

C14H9N5O5 (C14 H9 N5 O5)

Compound Name

7-amino-5-(4-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidin-6-yl cyanide

IUPAC name

7-amino-5-(4-nitrophenyl)-24-dioxo-1H2H3H4H5H-pyrano[23-d]pyrimidine-6-carbonitrile

SMILES

NC(OC(NC(N1)=O)=C(C2c(cc3)ccc3[N+]([O-])=O)C1=O)=C2C#N

InChI

InChI=1S/C14H9N5O5/c15-5-8-9(6-1-3-7(4-2-6)19(22)23)10-12(20)17-14(21)18-13(10)24-11(8)16/h1-4,9H,16H2,(H2,17,18,20,21)/t9-/m1/s1

InChI Key

QWGFBHZEQKIBJI-SECBINFHSA-N

MDL Number (MFCD)

MFCD00245319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.26

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.160

Distribution Coefficient, logD

0.086

Water Solubility, LogSw

-2.18

Polar Surface Area

129.570

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.14

8009-3393 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 8009-3393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3393?
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What is the minimum amount of 8009-3393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3393
  • 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 8009-3393 available by request