4236-1034F Screening compound: 2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl cyanide

4236-1034F Screening compound: 2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl cyanide
4236-1034F Screening compound: 2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1034F
2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl cyanide

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

4236-1034F

Molecular Formula

C17H18N6O2 (C17 H18 N6 O2)

Compound Name

2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl cyanide

IUPAC name

n/a

SMILES

CN(c1c(C(N2C)=O)n(CCC#N)c(NCc3ccccc3)n1)C2=O

InChI

InChI=1S/C17H18N6O2/c1-21-14-13(15(24)22(2)17(21)25)23(10-6-9-18)16(20-14)19-11-12-7-4-3-5-8-12/h3-5,7-8H,6,10-11H2,1-2H3,(H,19,20)

InChI Key

OQAQHZJRNNDWIH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.617

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-1.82

Polar Surface Area

72.588

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 4236-1034F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-1034F?
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What is the minimum amount of 4236-1034F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1034F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1034F
  • 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 4236-1034F available by request