3536-0260 Screening compound: 2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

3536-0260 Screening compound: 2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
3536-0260 Screening compound: 2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3536-0260
2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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

3536-0260

Molecular Formula

C24H21ClN2O4 (C24 H21 ClN2 O4)

Compound Name

2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(4-chlorophenyl)-7-(34-dimethoxyphenyl)-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

COc(ccc(C(C1)CC(OC(N)=C(C2c(cc3)ccc3Cl)C#N)=C2C1=O)c1)c1OC

InChI

InChI=1S/C24H21ClN2O4/c1-29-19-8-5-14(10-20(19)30-2)15-9-18(28)23-21(11-15)31-24(27)17(12-26)22(23)13-3-6-16(25)7-4-13/h3-8,10,15,22H,9,11,27H2,1-2H3

InChI Key

LLPYDQQFTCMQSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-4.58

Polar Surface Area

74.591

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

3536-0260 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3536-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3536-0260?
Check Price and Availability of 3536-0260, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3536-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3536-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3536-0260
  • 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 3536-0260 available by request