Y504-6788 Screening compound: 7-(4-fluorophenyl)-2-sulfanyl-1-(tetrahydro-2-furanylmethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one

Y504-6788 Screening compound: 7-(4-fluorophenyl)-2-sulfanyl-1-(tetrahydro-2-furanylmethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Y504-6788 Screening compound: 7-(4-fluorophenyl)-2-sulfanyl-1-(tetrahydro-2-furanylmethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-6788
7-(4-fluorophenyl)-2-sulfanyl-1-(tetrahydro-2-furanylmethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one

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

Y504-6788

Molecular Formula

C19H15F4N3O2S (C19 H15 F4 N3 O2 S)

Compound Name

7-(4-fluorophenyl)-2-sulfanyl-1-(tetrahydro-2-furanylmethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one

IUPAC name

7-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-2-sulfanyl-5-(trifluoromethyl)-1H4H-pyrido[23-d]pyrimidin-4-one

SMILES

O=C(c(c(C(F)(F)F)c1)c(N2CC3OCCC3)nc1-c(cc1)ccc1F)N=C2S

InChI

InChI=1S/C19H15F4N3O2S/c20-11-5-3-10(4-6-11)14-8-13(19(21,22)23)15-16(24-14)26(18(29)25-17(15)27)9-12-2-1-7-28-12/h3-6,8,12H,1-2,7,9H2,(H,25,27,29)/t12-/m1/s1

InChI Key

TTYFHCVEHWBDLG-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

0.680

Water Solubility, LogSw

-4.50

Polar Surface Area

43.568

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

Y504-6788 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y504-6788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-6788?
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What is the minimum amount of Y504-6788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-6788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-6788
  • 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 Y504-6788 available by request