5721-0305 Screening compound: 9-[(2-chlorophenyl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

5721-0305 Screening compound: 9-[(2-chlorophenyl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
5721-0305 Screening compound: 9-[(2-chlorophenyl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5721-0305
9-[(2-chlorophenyl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

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

5721-0305

Molecular Formula

C21H17Cl3N4O3 (C21 H17 Cl3 N4 O3)

Compound Name

9-[(2-chlorophenyl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

IUPAC name

9-[(2-chlorophenyl)methyl]-7-[(24-dichlorophenyl)methyl]-13-dimethyl-236789-hexahydro-1H-purine-268-trione

SMILES

CN(C(N1Cc(cccc2)c2Cl)=C(C(N2C)=O)N(Cc(ccc(Cl)c3)c3Cl)C1=O)C2=O

InChI

InChI=1S/C21H17Cl3N4O3/c1-25-18-17(19(29)26(2)20(25)30)27(10-13-7-8-14(22)9-16(13)24)21(31)28(18)11-12-5-3-4-6-15(12)23/h3-9H,10-11H2,1-2H3

InChI Key

ZFGOISUNWZHEAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

5.463

Water Solubility, LogSw

-5.86

Polar Surface Area

50.030

Acid Dissociation Constant (pKa)

28.17

Base Dissociation Constant (pKb)

-7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

5721-0305 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5721-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5721-0305?
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What is the minimum amount of 5721-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5721-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5721-0305
  • 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 5721-0305 available by request