F986-0581 Screening compound: 2-[7-(2-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-phenylpropyl)acetamide

F986-0581 Screening compound: 2-[7-(2-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-phenylpropyl)acetamide
F986-0581 Screening compound: 2-[7-(2-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F986-0581
2-[7-(2-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-phenylpropyl)acetamide

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

F986-0581

Molecular Formula

C23H21FN4O3 (C23 H21 FN4 O3)

Compound Name

2-[7-(2-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-phenylpropyl)acetamide

IUPAC name

2-[7-(2-fluorophenyl)-24-dioxo-1H2H3H4H5H-pyrrolo[32-d]pyrimidin-3-yl]-N-(3-phenylpropyl)acetamide

SMILES

O=C(CN(C(c([nH]cc1-c(cccc2)c2F)c1N1)=O)C1=O)NCCCc1ccccc1

InChI

InChI=1S/C23H21FN4O3/c24-18-11-5-4-10-16(18)17-13-26-21-20(17)27-23(31)28(22(21)30)14-19(29)25-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,26H,6,9,12,14H2,(H,25,29)(H,27,31)

InChI Key

IHNRTHPSXLSODU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.54

Polar Surface Area

73.287

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with F986-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F986-0581?
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What is the minimum amount of F986-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F986-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F986-0581
  • 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 F986-0581 available by request