2432-4480 Screening compound: ethyl 2-{[(2Z)-6-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate

2432-4480 Screening compound: ethyl 2-{[(2Z)-6-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate
2432-4480 Screening compound: ethyl 2-{[(2Z)-6-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2432-4480
ethyl 2-{[(2Z)-6-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate

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

2432-4480

Molecular Formula

C27H23F3N2O5S (C27 H23 F3 N2 O5 S)

Compound Name

ethyl 2-{[(2Z)-6-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-{[(2Z)-6-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-chromen-2-ylidene]amino}-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(/N=C2\Oc(ccc(OC)c3)c3C=C2C(Nc2cc(C(F)(F)F)ccc2)=O)sc(C)c1C)=O

InChI

InChI=1S/C27H23F3N2O5S/c1-5-36-26(34)22-14(2)15(3)38-25(22)32-24-20(12-16-11-19(35-4)9-10-21(16)37-24)23(33)31-18-8-6-7-17(13-18)27(28,29)30/h6-13H,5H2,1-4H3,(H,31,33)

InChI Key

COWXDMLAOUDGAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.409

Distribution Coefficient, logD

6.388

Water Solubility, LogSw

-5.84

Polar Surface Area

67.128

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

2432-4480 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 2432-4480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2432-4480?
Check Price and Availability of 2432-4480, 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 2432-4480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2432-4480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2432-4480
  • 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 2432-4480 available by request