Y700-0349 Screening compound: 4-OXO-6-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE

Y700-0349 Screening compound: 4-OXO-6-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Y700-0349 Screening compound: 4-OXO-6-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y700-0349
4-OXO-6-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE

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

Y700-0349

Molecular Formula

C11H7N3OS (C11 H7 N3 OS)

Compound Name

4-OXO-6-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE

IUPAC name

n/a

SMILES

N#CC(C(N1)=O)=C(c2ccccc2)NC1=S

InChI

InChI=1S/C11H7N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5H,(H2,13,14,15,16)

InChI Key

IRXNEFZOFSGSIL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.631

Distribution Coefficient, logD

-2.587

Water Solubility, LogSw

-2.24

Polar Surface Area

53.041

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.00

References: we are preparing a list of scientific research reports with Y700-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y700-0349?
Check Price and Availability of Y700-0349, 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 Y700-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y700-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y700-0349
  • 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 Y700-0349 available by request