C733-0372 Screening compound: 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

C733-0372 Screening compound: 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
C733-0372 Screening compound: 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0372
1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-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

C733-0372

Molecular Formula

C20H20ClN3O2 (C20 H20 ClN3 O2)

Compound Name

1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

O=C(c1cccnc1N1Cc(cccc2)c2Cl)N(C2CCCCC2)C1=O

InChI

InChI=1S/C20H20ClN3O2/c21-17-11-5-4-7-14(17)13-23-18-16(10-6-12-22-18)19(25)24(20(23)26)15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9,13H2

InChI Key

ZUAOBWJDNGRFSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.63

Polar Surface Area

40.819

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C733-0372 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C733-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C733-0372?
Check Price and Availability of C733-0372, 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 C733-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0372
  • 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 C733-0372 available by request