S348-2116F Screening compound: N~1~-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide

S348-2116F Screening compound: N~1~-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
S348-2116F Screening compound: N~1~-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S348-2116F
N~1~-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]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

S348-2116F

Molecular Formula

C22H18ClFN4O3 (C22 H18 ClFN4 O3)

Compound Name

N~1~-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide

IUPAC name

N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-56-dimethyl-24-dioxo-1H2H3H4H5H-pyrrolo[32-d]pyrimidin-1-yl]acetamide

SMILES

Cc1cc(N(CC(Nc2cccc(Cl)c2)=O)C(N(c(cc2)ccc2F)C2=O)=O)c2n1C

InChI

InChI=1S/C22H18ClFN4O3/c1-13-10-18-20(26(13)2)21(30)28(17-8-6-15(24)7-9-17)22(31)27(18)12-19(29)25-16-5-3-4-14(23)11-16/h3-11H,12H2,1-2H3,(H,25,29)

InChI Key

CHMBTTLWSFTTOC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.86

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

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.77

Polar Surface Area

56.449

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

References: we are preparing a list of scientific research reports with S348-2116F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-2116F?
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What is the minimum amount of S348-2116F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-2116F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-2116F
  • 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 S348-2116F available by request