4236-1134 Screening compound: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-1134 Screening compound: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-1134 Screening compound: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1134
7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-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

4236-1134

Molecular Formula

C16H16FN5O2 (C16 H16 FN5 O2)

Compound Name

7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(Cc(cc3)ccc3F)c(NCC=C)n1)C2=O

InChI

InChI=1S/C16H16FN5O2/c1-3-8-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-4-6-11(17)7-5-10/h3-7H,1,8-9H2,2H3,(H,18,19)(H,20,23,24)

InChI Key

KCZYLPUGIBIWHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02579166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.336

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-2.94

Polar Surface Area

63.873

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4236-1134 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4236-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-1134?
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What is the minimum amount of 4236-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1134
  • 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 4236-1134 available by request