C301-9134 Screening compound: 8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C301-9134 Screening compound: 8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C301-9134 Screening compound: 8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9134
8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-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

C301-9134

Molecular Formula

C14H15N5O2S (C14 H15 N5 O2 S)

Compound Name

8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(4-aminophenyl)sulfanyl]-137-trimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(Sc(cc2)ccc2N)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C14H15N5O2S/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-9-6-4-8(15)5-7-9/h4-7H,15H2,1-3H3

InChI Key

BZOGGQXCZDDMPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04187324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.545

Distribution Coefficient, logD

1.545

Water Solubility, LogSw

-2.36

Polar Surface Area

64.902

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C301-9134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9134?
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What is the minimum amount of C301-9134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9134
  • 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 C301-9134 available by request