5096-1296 Screening compound: methyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

5096-1296 Screening compound: methyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
5096-1296 Screening compound: methyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5096-1296
methyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

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

5096-1296

Molecular Formula

C18H18BrN3O4 (C18 H18 BrN3 O4)

Compound Name

methyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(4-bromophenyl)-137-trimethyl-24-dioxo-1H2H3H4H5H8H-pyrido[23-d]pyrimidine-6-carboxylate

SMILES

CC(NC(N(C)C(N1C)=O)=C(C2c(cc3)ccc3Br)C1=O)=C2C(OC)=O

InChI

InChI=1S/C18H18BrN3O4/c1-9-12(17(24)26-4)13(10-5-7-11(19)8-6-10)14-15(20-9)21(2)18(25)22(3)16(14)23/h5-8,13,20H,1-4H3/t13-/m0/s1

InChI Key

MJNLKYHYKFQVGX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02730777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

0.657

Water Solubility, LogSw

-3.28

Polar Surface Area

62.966

Acid Dissociation Constant (pKa)

5.19

Base Dissociation Constant (pKb)

-7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

5096-1296 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5096-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5096-1296?
Check Price and Availability of 5096-1296, 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 5096-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5096-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5096-1296
  • 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 5096-1296 available by request