7999-4513 Screening compound: 2-amino-5-[4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

7999-4513 Screening compound: 2-amino-5-[4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
7999-4513 Screening compound: 2-amino-5-[4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7999-4513
2-amino-5-[4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

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

7999-4513

Molecular Formula

C16H16N4O3 (C16 H16 N4 O3)

Compound Name

2-amino-5-[4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

2-amino-5-[4-(prop-2-en-1-yloxy)phenyl]-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

C=CCOc1ccc(C(CC(N2)=O)C3=C2N=C(N)NC3=O)cc1

InChI

InChI=1S/C16H16N4O3/c1-2-7-23-10-5-3-9(4-6-10)11-8-12(21)18-14-13(11)15(22)20-16(17)19-14/h2-6,11H,1,7-8H2,(H4,17,18,19,20,21,22)/t11-/m0/s1

InChI Key

NWBVWABCCSAOHH-NSHDSACASA-N

MDL Number (MFCD)

MFCD07400221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.489

Distribution Coefficient, logD

0.486

Water Solubility, LogSw

-1.84

Polar Surface Area

87.289

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

7999-4513 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7999-4513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7999-4513?
Check Price and Availability of 7999-4513, 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 7999-4513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7999-4513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7999-4513
  • 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 7999-4513 available by request