C301-9329 Screening compound: N,9-bis(3-chloro-4-methoxyphenyl)-6,8-dimethyl-9H-purin-2-amine

C301-9329 Screening compound: N,9-bis(3-chloro-4-methoxyphenyl)-6,8-dimethyl-9H-purin-2-amine
C301-9329 Screening compound: N,9-bis(3-chloro-4-methoxyphenyl)-6,8-dimethyl-9H-purin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9329
N,9-bis(3-chloro-4-methoxyphenyl)-6,8-dimethyl-9H-purin-2-amine

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

C301-9329

Molecular Formula

C21H19Cl2N5O2 (C21 H19 Cl2 N5 O2)

Compound Name

N,9-bis(3-chloro-4-methoxyphenyl)-6,8-dimethyl-9H-purin-2-amine

IUPAC name

N9-bis(3-chloro-4-methoxyphenyl)-68-dimethyl-9H-purin-2-amine

SMILES

Cc1nc2c(C)nc(Nc(cc3)cc(Cl)c3OC)nc2n1-c(cc1)cc(Cl)c1OC

InChI

InChI=1S/C21H19Cl2N5O2/c1-11-19-20(27-21(24-11)26-13-5-7-17(29-3)15(22)9-13)28(12(2)25-19)14-6-8-18(30-4)16(23)10-14/h5-10H,1-4H3,(H,24,26,27)

InChI Key

IJAFGHNGNRWHCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.151

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-5.71

Polar Surface Area

57.772

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C301-9329 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9329?
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What is the minimum amount of C301-9329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9329
  • 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 C301-9329 available by request