Y500-1247 Screening compound: N-[7-(tert-butyl)-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide

Y500-1247 Screening compound: N-[7-(tert-butyl)-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Y500-1247 Screening compound: N-[7-(tert-butyl)-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-1247
N-[7-(tert-butyl)-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide

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

Y500-1247

Molecular Formula

C21H26N6O4S (C21 H26 N6 O4 S)

Compound Name

N-[7-(tert-butyl)-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide

IUPAC name

N-{11-tert-butyl-5-methyl-3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide

SMILES

CCn1nc(C(NN(C(C)=Nc2c3c(CCC(C4)C(C)(C)C)c4s2)C3=O)=O)c([N+]([O-])=O)c1

InChI

InChI=1S/C21H26N6O4S/c1-6-25-10-14(27(30)31)17(23-25)18(28)24-26-11(2)22-19-16(20(26)29)13-8-7-12(21(3,4)5)9-15(13)32-19/h10,12H,6-9H2,1-5H3,(H,24,28)/t12-/m1/s1

InChI Key

PHWOVFBYTDNIOV-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-3.30

Polar Surface Area

98.739

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with Y500-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-1247?
Check Price and Availability of Y500-1247, 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 Y500-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-1247
  • 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 Y500-1247 available by request