4979-2494 Screening compound: N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl]acetamide

4979-2494 Screening compound: N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl]acetamide
4979-2494 Screening compound: N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4979-2494
N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl]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

4979-2494

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl]acetamide

IUPAC name

N-[4-(2-amino-3-cyano-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromen-4-yl)phenyl]acetamide

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc3)ccc3NC(C)=O)C#N)=C2C1=O

InChI

InChI=1S/C20H21N3O3/c1-11(24)23-13-6-4-12(5-7-13)17-14(10-21)19(22)26-16-9-20(2,3)8-15(25)18(16)17/h4-7,17H,8-9,22H2,1-3H3,(H,23,24)/t17-/m1/s1

InChI Key

MQPLIWSJVREFDY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00977262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-1.96

Polar Surface Area

82.864

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

4979-2494 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4979-2494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4979-2494?
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What is the minimum amount of 4979-2494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4979-2494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4979-2494
  • 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 4979-2494 available by request