V003-9926 Screening compound: N-benzyl-2-{4-[4-(tert-butyl)phenyl]-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-phenethylacetamide

V003-9926 Screening compound: N-benzyl-2-{4-[4-(tert-butyl)phenyl]-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-phenethylacetamide
V003-9926 Screening compound: N-benzyl-2-{4-[4-(tert-butyl)phenyl]-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9926
N-benzyl-2-{4-[4-(tert-butyl)phenyl]-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-phenethylacetamide

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

V003-9926

Molecular Formula

C34H38N4O3 (C34 H38 N4 O3)

Compound Name

N-benzyl-2-{4-[4-(tert-butyl)phenyl]-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-phenethylacetamide

IUPAC name

N-benzyl-2-[4-(4-tert-butylphenyl)-1-methyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide

SMILES

CC(C)(C)c1ccc(C(C(C(N(CC(N(CCc2ccccc2)Cc2ccccc2)=O)C2)=O)=C2N2C)NC2=O)cc1

InChI

InChI=1S/C34H38N4O3/c1-34(2,3)27-17-15-26(16-18-27)31-30-28(36(4)33(41)35-31)22-38(32(30)40)23-29(39)37(21-25-13-9-6-10-14-25)20-19-24-11-7-5-8-12-24/h5-18,31H,19-23H2,1-4H3,(H,35,41)/t31-/m0/s1

InChI Key

PEIQGQDHASRXKU-HKBQPEDESA-N

MDL Number (MFCD)

MFCD19936546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.936

Distribution Coefficient, logD

4.893

Water Solubility, LogSw

-4.52

Polar Surface Area

60.164

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.35

References: we are preparing a list of scientific research reports with V003-9926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9926?
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What is the minimum amount of V003-9926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9926
  • 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 V003-9926 available by request