V029-5407 Screening compound: 1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-5407 Screening compound: 1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-5407 Screening compound: 1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5407
1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-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

V029-5407

Molecular Formula

C26H29N5O4 (C26 H29 N5 O4)

Compound Name

1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)CCN(C(c1c(N2c3ccc(C(C)C)cc3)ncn1Cc(cc1)ccc1[N+]([O-])=O)=O)C2=O

InChI

InChI=1S/C26H29N5O4/c1-17(2)13-14-29-25(32)23-24(30(26(29)33)21-11-7-20(8-12-21)18(3)4)27-16-28(23)15-19-5-9-22(10-6-19)31(34)35/h5-12,16-18H,13-15H2,1-4H3

InChI Key

RYEFTCRVIVPDGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920649

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.248

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.04

Polar Surface Area

75.906

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with V029-5407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5407?
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What is the minimum amount of V029-5407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5407
  • 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 V029-5407 available by request