4236-1040 Screening compound: 2-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

4236-1040 Screening compound: 2-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide
4236-1040 Screening compound: 2-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1040
2-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]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

4236-1040

Molecular Formula

C16H13N7O4 (C16 H13 N7 O4)

Compound Name

2-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

IUPAC name

2-(3-methyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)-N'-[(3E)-2-oxo-23-dihydro-1H-indol-3-ylidene]acetohydrazide

SMILES

CN(c1c(C(N2)=O)n(CC(N/N=C(\c(cccc3)c3N3)/C3=O)=O)cn1)C2=O

InChI

InChI=1S/C16H13N7O4/c1-22-13-12(15(26)19-16(22)27)23(7-17-13)6-10(24)20-21-11-8-4-2-3-5-9(8)18-14(11)25/h2-5,7H,6H2,1H3,(H,20,24)(H,18,21,25)(H,19,26,27)

InChI Key

JOUZKZIYGNVNHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01084532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.328

Distribution Coefficient, logD

-0.335

Water Solubility, LogSw

-2.39

Polar Surface Area

111.058

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4236-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-1040?
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What is the minimum amount of 4236-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1040
  • 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 4236-1040 available by request