G668-0356 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)piperazine

G668-0356 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)piperazine
G668-0356 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0356
1-(5-chloro-2-methylphenyl)-4-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)piperazine

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

G668-0356

Molecular Formula

C22H25ClN2O3 (C22 H25 ClN2 O3)

Compound Name

1-(5-chloro-2-methylphenyl)-4-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-(6-methoxy-34-dihydro-2H-1-benzopyran-3-carbonyl)piperazine

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(C(C1)COc(cc2)c1cc2OC)=O

InChI

InChI=1S/C22H25ClN2O3/c1-15-3-4-18(23)13-20(15)24-7-9-25(10-8-24)22(26)17-11-16-12-19(27-2)5-6-21(16)28-14-17/h3-6,12-13,17H,7-11,14H2,1-2H3/t17-/m0/s1

InChI Key

KKETUFPCPXAHQF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15027693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.80

Polar Surface Area

35.760

Acid Dissociation Constant (pKa)

21.97

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

G668-0356 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G668-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0356?
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What is the minimum amount of G668-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0356
  • 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 G668-0356 available by request