1029-0520 Screening compound: 7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

1029-0520 Screening compound: 7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1029-0520 Screening compound: 7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1029-0520
7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

1029-0520

Molecular Formula

C17H17ClN6O2 (C17 H17 ClN6 O2)

Compound Name

7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2367-tetrahydro-1H-purine-26-dione

SMILES

C/C(/Cl)=C/Cn1c(N/N=C/c2ccccc2)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C17H17ClN6O2/c1-11(18)8-9-24-13-14(23(2)17(26)21-15(13)25)20-16(24)22-19-10-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,20,22)(H,21,25,26)

InChI Key

INMHIGYFTYWHNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00687785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.466

Water Solubility, LogSw

-3.91

Polar Surface Area

74.913

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 1029-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1029-0520?
Check Price and Availability of 1029-0520, 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 1029-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1029-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1029-0520
  • 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 1029-0520 available by request