Y400-0014 Screening compound: N~1~-cyclohexyl-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N~1~-methylacetamide

Y400-0014 Screening compound: N~1~-cyclohexyl-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N~1~-methylacetamide
Y400-0014 Screening compound: N~1~-cyclohexyl-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y400-0014
N~1~-cyclohexyl-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N~1~-methylacetamide

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

Y400-0014

Molecular Formula

C17H23N5O2S (C17 H23 N5 O2 S)

Compound Name

N~1~-cyclohexyl-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N~1~-methylacetamide

IUPAC name

N-cyclohexyl-2-[7-(ethylsulfanyl)-4-oxo-3H4H-[13]diazino[45-d]pyrimidin-3-yl]-N-methylacetamide

SMILES

CCSc(nc1)nc(N=CN2CC(N(C)C3CCCCC3)=O)c1C2=O

InChI

InChI=1S/C17H23N5O2S/c1-3-25-17-18-9-13-15(20-17)19-11-22(16(13)24)10-14(23)21(2)12-7-5-4-6-8-12/h9,11-12H,3-8,10H2,1-2H3

InChI Key

TZCPRARNKUFWDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.31

Polar Surface Area

59.676

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

References: we are preparing a list of scientific research reports with Y400-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y400-0014?
Check Price and Availability of Y400-0014, 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 Y400-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y400-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y400-0014
  • 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 Y400-0014 available by request