D103-0726 Screening compound: 2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-chromen-4-one

D103-0726 Screening compound: 2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-chromen-4-one
D103-0726 Screening compound: 2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-0726
2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-chromen-4-one

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

D103-0726

Molecular Formula

C22H21ClN2O3 (C22 H21 ClN2 O3)

Compound Name

2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-chromen-4-one

IUPAC name

2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-78-dimethyl-4H-chromen-4-one

SMILES

Cc(cc1)c(C)c(OC(C(N(CC2)CCN2c2cccc(Cl)c2)=O)=C2)c1C2=O

InChI

InChI=1S/C22H21ClN2O3/c1-14-6-7-18-19(26)13-20(28-21(18)15(14)2)22(27)25-10-8-24(9-11-25)17-5-3-4-16(23)12-17/h3-7,12-13H,8-11H2,1-2H3

InChI Key

JIEMFTOGPSGUHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06787563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.642

Distribution Coefficient, logD

4.642

Water Solubility, LogSw

-4.80

Polar Surface Area

41.650

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D103-0726 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D103-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-0726?
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What is the minimum amount of D103-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-0726
  • 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 D103-0726 available by request