3254-0659 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide

3254-0659 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide
3254-0659 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-0659
N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)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

3254-0659

Molecular Formula

C16H14ClN7O5 (C16 H14 ClN7 O5)

Compound Name

N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide

IUPAC name

N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetohydrazide

SMILES

CN(c1c(C(N2C)=O)n(CC(N/N=C/c(cc(cc3)[N+]([O-])=O)c3Cl)=O)cn1)C2=O

InChI

InChI=1S/C16H14ClN7O5/c1-21-14-13(15(26)22(2)16(21)27)23(8-18-14)7-12(25)20-19-6-9-5-10(24(28)29)3-4-11(9)17/h3-6,8H,7H2,1-2H3,(H,20,25)

InChI Key

HKLRKTUHAQOQOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02076890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.78

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.485

Distribution Coefficient, logD

1.480

Water Solubility, LogSw

-2.82

Polar Surface Area

111.716

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

3254-0659 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3254-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3254-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-0659
  • 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 3254-0659 available by request