V023-7479 Screening compound: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V023-7479 Screening compound: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V023-7479 Screening compound: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-7479
1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-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

V023-7479

Molecular Formula

C23H21N5O5 (C23 H21 N5 O5)

Compound Name

1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

COc1cccc(N(c2c(C(N3CC4CC4)=O)n(Cc4cccc([N+]([O-])=O)c4)cn2)C3=O)c1

InChI

InChI=1S/C23H21N5O5/c1-33-19-7-3-5-17(11-19)27-21-20(22(29)26(23(27)30)13-15-8-9-15)25(14-24-21)12-16-4-2-6-18(10-16)28(31)32/h2-7,10-11,14-15H,8-9,12-13H2,1H3

InChI Key

HIFJMSWXXQBCAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19905039

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

3.230

Water Solubility, LogSw

-3.41

Polar Surface Area

83.723

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with V023-7479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-7479?
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What is the minimum amount of V023-7479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-7479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-7479
  • 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 V023-7479 available by request