G668-0452 Screening compound: N-(3-chloro-2-methylphenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0452 Screening compound: N-(3-chloro-2-methylphenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0452 Screening compound: N-(3-chloro-2-methylphenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0452
N-(3-chloro-2-methylphenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

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

G668-0452

Molecular Formula

C18H18ClNO3 (C18 H18 ClNO3)

Compound Name

N-(3-chloro-2-methylphenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-6-methoxy-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

Cc(c(NC(C(C1)COc(cc2)c1cc2OC)=O)ccc1)c1Cl

InChI

InChI=1S/C18H18ClNO3/c1-11-15(19)4-3-5-16(11)20-18(21)13-8-12-9-14(22-2)6-7-17(12)23-10-13/h3-7,9,13H,8,10H2,1-2H3,(H,20,21)/t13-/m0/s1

InChI Key

CSEYQHZVOAIWSA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15027744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.41

Polar Surface Area

38.546

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with G668-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0452?
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What is the minimum amount of G668-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0452
  • 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 G668-0452 available by request