C999-0104 Screening compound: N-(4-fluoro-2-methylphenyl)-2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamide

C999-0104 Screening compound: N-(4-fluoro-2-methylphenyl)-2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamide
C999-0104 Screening compound: N-(4-fluoro-2-methylphenyl)-2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0104
N-(4-fluoro-2-methylphenyl)-2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-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

C999-0104

Molecular Formula

C24H23FN4O (C24 H23 FN4 O)

Compound Name

N-(4-fluoro-2-methylphenyl)-2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamide

IUPAC name

N-(4-fluoro-2-methylphenyl)-2-{257-trimethyl-3-phenylpyrazolo[15-a]pyrimidin-6-yl}acetamide

SMILES

Cc1nn2c(C)c(CC(Nc(cc3)c(C)cc3F)=O)c(C)nc2c1-c1ccccc1

InChI

InChI=1S/C24H23FN4O/c1-14-12-19(25)10-11-21(14)27-22(30)13-20-15(2)26-24-23(18-8-6-5-7-9-18)16(3)28-29(24)17(20)4/h5-12H,13H2,1-4H3,(H,27,30)

InChI Key

ULYKOAPSRUMXJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.30

Polar Surface Area

43.024

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C999-0104 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C999-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0104?
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What is the minimum amount of C999-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0104
  • 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 C999-0104 available by request