C117-0667 Screening compound: methyl 5-(3-fluorophenyl)-7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

C117-0667 Screening compound: methyl 5-(3-fluorophenyl)-7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
C117-0667 Screening compound: methyl 5-(3-fluorophenyl)-7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C117-0667
methyl 5-(3-fluorophenyl)-7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-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

C117-0667

Molecular Formula

C20H22FN3O3S (C20 H22 FN3 O3 S)

Compound Name

methyl 5-(3-fluorophenyl)-7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(3-fluorophenyl)-7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-3H4H5H8H-pyrido[23-d]pyrimidine-6-carboxylate

SMILES

CC(C)CSC(N1)=NC(NC(C)=C(C2c3cc(F)ccc3)C(OC)=O)=C2C1=O

InChI

InChI=1S/C20H22FN3O3S/c1-10(2)9-28-20-23-17-16(18(25)24-20)15(12-6-5-7-13(21)8-12)14(11(3)22-17)19(26)27-4/h5-8,10,15H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m1/s1

InChI Key

KWCCSFLQFIMKFQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08488652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

1.445

Water Solubility, LogSw

-3.62

Polar Surface Area

65.229

Acid Dissociation Constant (pKa)

5.49

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C117-0667 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C117-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0667?
Check Price and Availability of C117-0667, 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 C117-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0667
  • 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 C117-0667 available by request