V029-1035 Screening compound: methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)benzoate

V029-1035 Screening compound: methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)benzoate
V029-1035 Screening compound: methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1035
methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)benzoate

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

V029-1035

Molecular Formula

C25H24N4O5 (C25 H24 N4 O5)

Compound Name

methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl}methyl)benzoate

IUPAC name

methyl 4-({26-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-2367-tetrahydro-1H-purin-7-yl}methyl)benzoate

SMILES

COC(c1ccc(Cn2c(C(N(CC3OCCC3)C(N3c4ccccc4)=O)=O)c3nc2)cc1)=O

InChI

InChI=1S/C25H24N4O5/c1-33-24(31)18-11-9-17(10-12-18)14-27-16-26-22-21(27)23(30)28(15-20-8-5-13-34-20)25(32)29(22)19-6-3-2-4-7-19/h2-4,6-7,9-12,16,20H,5,8,13-15H2,1H3/t20-/m1/s1

InChI Key

JTWBBHFTHQKZIA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19921083

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.41

Polar Surface Area

72.103

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V029-1035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1035?
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What is the minimum amount of V029-1035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1035
  • 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 V029-1035 available by request