V029-1933 Screening compound: 7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-1933 Screening compound: 7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-1933 Screening compound: 7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1933
7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-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

V029-1933

Molecular Formula

C20H14Cl2F2N4O2 (C20 H14 Cl2 F2 N4 O2)

Compound Name

7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(34-dichlorophenyl)methyl]-3-(24-difluorophenyl)-1-ethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(C(c1c(N2c(ccc(F)c3)c3F)ncn1Cc(cc1)cc(Cl)c1Cl)=O)C2=O

InChI

InChI=1S/C20H14Cl2F2N4O2/c1-2-27-19(29)17-18(28(20(27)30)16-6-4-12(23)8-15(16)24)25-10-26(17)9-11-3-5-13(21)14(22)7-11/h3-8,10H,2,9H2,1H3

InChI Key

JDVMTDSVLJIZDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921240

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.18

Polar Surface Area

41.970

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with V029-1933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1933?
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What is the minimum amount of V029-1933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1933
  • 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 V029-1933 available by request