Y501-3294 Screening compound: 6-amino-5-[(6-amino-1-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-fluorophenyl)methyl]-1-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

Y501-3294 Screening compound: 6-amino-5-[(6-amino-1-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-fluorophenyl)methyl]-1-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
Y501-3294 Screening compound: 6-amino-5-[(6-amino-1-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-fluorophenyl)methyl]-1-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-3294
6-amino-5-[(6-amino-1-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-fluorophenyl)methyl]-1-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

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

Y501-3294

Molecular Formula

C17H17FN6O2S2 (C17 H17 FN6 O2 S2)

Compound Name

6-amino-5-[(6-amino-1-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-fluorophenyl)methyl]-1-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

IUPAC name

6-amino-5-[(6-amino-1-methyl-4-oxo-2-sulfanylidene-1234-tetrahydropyrimidin-5-yl)(4-fluorophenyl)methyl]-1-methyl-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CN(C(N)=C(C(c(cc1)ccc1F)C(C(N1)=O)=C(N)N(C)C1=S)C(N1)=O)C1=S

InChI

InChI=1S/C17H17FN6O2S2/c1-23-12(19)10(14(25)21-16(23)27)9(7-3-5-8(18)6-4-7)11-13(20)24(2)17(28)22-15(11)26/h3-6,9H,19-20H2,1-2H3,(H,21,25,27)(H,22,26,28)

InChI Key

RAOQCVSDGVRIJD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.149

Distribution Coefficient, logD

0.149

Water Solubility, LogSw

-2.20

Polar Surface Area

95.540

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with Y501-3294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-3294?
Check Price and Availability of Y501-3294, 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 Y501-3294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-3294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-3294
  • 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 Y501-3294 available by request