V023-1455 Screening compound: 2-[4-(3-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-3-phenylpropanamide

V023-1455 Screening compound: 2-[4-(3-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-3-phenylpropanamide
V023-1455 Screening compound: 2-[4-(3-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-1455
2-[4-(3-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-3-phenylpropanamide

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

V023-1455

Molecular Formula

C29H27FN4O4 (C29 H27 FN4 O4)

Compound Name

2-[4-(3-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-3-phenylpropanamide

IUPAC name

2-[4-(3-fluorophenyl)-25-dioxo-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-3-phenylpropanamide

SMILES

C=CCN(C(CN1C(Cc2ccccc2)C(NCc2ccco2)=O)=C(C(c2cccc(F)c2)N2)C1=O)C2=O

InChI

InChI=1S/C29H27FN4O4/c1-2-13-33-24-18-34(28(36)25(24)26(32-29(33)37)20-10-6-11-21(30)16-20)23(15-19-8-4-3-5-9-19)27(35)31-17-22-12-7-14-38-22/h2-12,14,16,23,26H,1,13,15,17-18H2,(H,31,35)(H,32,37)

InChI Key

BKTBYPDTGGHCCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.24

Polar Surface Area

75.968

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.70

V023-1455 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V023-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-1455?
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What is the minimum amount of V023-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-1455
  • 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 V023-1455 available by request