D364-1115 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-1115 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-1115 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1115
5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-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

D364-1115

Molecular Formula

C17H17N5O5S (C17 H17 N5 O5 S)

Compound Name

5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-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-13-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CC(N(C(C1)c2cc([N+]([O-])=O)ccc2)N=C1C(C(N(C)C(N1C)=S)=O)=C1O)=O

InChI

InChI=1S/C17H17N5O5S/c1-9(23)21-13(10-5-4-6-11(7-10)22(26)27)8-12(18-21)14-15(24)19(2)17(28)20(3)16(14)25/h4-7,13,24H,8H2,1-3H3/t13-/m1/s1

InChI Key

VMADADGXFCFRGO-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14825218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.787

Distribution Coefficient, logD

-2.373

Water Solubility, LogSw

-1.89

Polar Surface Area

95.902

Acid Dissociation Constant (pKa)

4.24

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with D364-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1115?
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What is the minimum amount of D364-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1115
  • 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 D364-1115 available by request