D364-1150 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-1150 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-1150 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1150
5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-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

D364-1150

Molecular Formula

C16H15N5O5S (C16 H15 N5 O5 S)

Compound Name

5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

IUPAC name

5-[1-acetyl-5-(3-nitrophenyl)-45-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CC(N(C(C1)c2cc([N+]([O-])=O)ccc2)N=C1C(C(N(C)C(N1)=S)=O)=C1O)=O

InChI

InChI=1S/C16H15N5O5S/c1-8(22)20-12(9-4-3-5-10(6-9)21(25)26)7-11(18-20)13-14(23)17-16(27)19(2)15(13)24/h3-6,12,23H,7H2,1-2H3,(H,17,27)/t12-/m1/s1

InChI Key

DFRBNOQCIMORSF-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14825231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.878

Distribution Coefficient, logD

-3.104

Water Solubility, LogSw

-2.29

Polar Surface Area

104.523

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D364-1150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1150?
Check Price and Availability of D364-1150, 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 D364-1150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1150
  • 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 D364-1150 available by request