V018-7556 Screening compound: 6-(butan-2-yl)-4-(3,5-dimethoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V018-7556 Screening compound: 6-(butan-2-yl)-4-(3,5-dimethoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V018-7556 Screening compound: 6-(butan-2-yl)-4-(3,5-dimethoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7556
6-(butan-2-yl)-4-(3,5-dimethoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-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

V018-7556

Molecular Formula

C19H25N3O4 (C19 H25 N3 O4)

Compound Name

6-(butan-2-yl)-4-(3,5-dimethoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

6-(butan-2-yl)-4-(35-dimethoxyphenyl)-1-methyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CCC(C)N(CC(N1C)=C2C(c3cc(OC)cc(OC)c3)NC1=O)C2=O

InChI

InChI=1S/C19H25N3O4/c1-6-11(2)22-10-15-16(18(22)23)17(20-19(24)21(15)3)12-7-13(25-4)9-14(8-12)26-5/h7-9,11,17H,6,10H2,1-5H3,(H,20,24)

InChI Key

FIXJGCPGGAYIIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19776265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-2.46

Polar Surface Area

59.332

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

V018-7556 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V018-7556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7556?
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What is the minimum amount of V018-7556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7556
  • 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 V018-7556 available by request