2088-0014 Screening compound: 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

2088-0014 Screening compound: 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
2088-0014 Screening compound: 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2088-0014
2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

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

2088-0014

Molecular Formula

C21H19N5O4S (C21 H19 N5 O4 S)

Compound Name

2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

IUPAC name

2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

SMILES

CC(CN1C(SCC(N/N=C/c(cc2)ccc2[N+]([O-])=O)=O)=Nc(cccc2)c2C1=O)=C

InChI

InChI=1S/C21H19N5O4S/c1-14(2)12-25-20(28)17-5-3-4-6-18(17)23-21(25)31-13-19(27)24-22-11-15-7-9-16(10-8-15)26(29)30/h3-11H,1,12-13H2,2H3,(H,24,27)

InChI Key

PDXNMBFTRRMHKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01028717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.94

Polar Surface Area

94.798

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 2088-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2088-0014?
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What is the minimum amount of 2088-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2088-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2088-0014
  • 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 2088-0014 available by request