V028-9411 Screening compound: 7-[(3,4-DICHLOROPHENYL)METHYL]-1-ETHYL-3-(2-METHOXYPHENYL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

V028-9411 Screening compound: 7-[(3,4-DICHLOROPHENYL)METHYL]-1-ETHYL-3-(2-METHOXYPHENYL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
V028-9411 Screening compound: 7-[(3,4-DICHLOROPHENYL)METHYL]-1-ETHYL-3-(2-METHOXYPHENYL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9411
7-[(3,4-DICHLOROPHENYL)METHYL]-1-ETHYL-3-(2-METHOXYPHENYL)-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

V028-9411

Molecular Formula

C21H18Cl2N4O3 (C21 H18 Cl2 N4 O3)

Compound Name

7-[(3,4-DICHLOROPHENYL)METHYL]-1-ETHYL-3-(2-METHOXYPHENYL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

IUPAC name

7-[(34-dichlorophenyl)methyl]-1-ethyl-3-(2-methoxyphenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(C(c1c(N2c(cccc3)c3OC)ncn1Cc(cc1)cc(Cl)c1Cl)=O)C2=O

InChI

InChI=1S/C21H18Cl2N4O3/c1-3-26-20(28)18-19(27(21(26)29)16-6-4-5-7-17(16)30-2)24-12-25(18)11-13-8-9-14(22)15(23)10-13/h4-10,12H,3,11H2,1-2H3

InChI Key

RMRXLYFAYTUWCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.08

Polar Surface Area

49.600

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with V028-9411 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V028-9411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9411
  • 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 V028-9411 available by request