8001-1323 Screening compound: 7-amino-5-(3,4-dichlorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

8001-1323 Screening compound: 7-amino-5-(3,4-dichlorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
8001-1323 Screening compound: 7-amino-5-(3,4-dichlorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1323
7-amino-5-(3,4-dichlorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

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

8001-1323

Molecular Formula

C14H8Cl2N4O3 (C14 H8 Cl2 N4 O3)

Compound Name

7-amino-5-(3,4-dichlorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

IUPAC name

7-amino-5-(34-dichlorophenyl)-24-dioxo-1H2H3H4H5H-pyrano[23-d]pyrimidine-6-carbonitrile

SMILES

NC(OC(NC(N1)=O)=C(C2c(cc3)cc(Cl)c3Cl)C1=O)=C2C#N

InChI

InChI=1S/C14H8Cl2N4O3/c15-7-2-1-5(3-8(7)16)9-6(4-17)11(18)23-13-10(9)12(21)19-14(22)20-13/h1-3,9H,18H2,(H2,19,20,21,22)/t9-/m1/s1

InChI Key

AXPGBHKZNTXMDO-SECBINFHSA-N

MDL Number (MFCD)

MFCD00486624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

1.620

Water Solubility, LogSw

-2.90

Polar Surface Area

96.189

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8001-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1323?
Check Price and Availability of 8001-1323, 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 8001-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1323
  • 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 8001-1323 available by request