1187-2029 Screening compound: ethyl 4-{5-[(1Z)-2-cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

1187-2029 Screening compound: ethyl 4-{5-[(1Z)-2-cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate
1187-2029 Screening compound: ethyl 4-{5-[(1Z)-2-cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-2029
ethyl 4-{5-[(1Z)-2-cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

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

1187-2029

Molecular Formula

C25H22N2O4 (C25 H22 N2 O4)

Compound Name

ethyl 4-{5-[(1Z)-2-cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

IUPAC name

ethyl 4-{5-[(1Z)-2-cyano-2-[(24-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(\C(Nc2c(C)cc(C)cc2)=O)/C#N)o1)=O

InChI

InChI=1S/C25H22N2O4/c1-4-30-25(29)19-8-6-18(7-9-19)23-12-10-21(31-23)14-20(15-26)24(28)27-22-11-5-16(2)13-17(22)3/h5-14H,4H2,1-3H3,(H,27,28)

InChI Key

PSKFTFPHGSTJAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.019

Distribution Coefficient, logD

6.016

Water Solubility, LogSw

-5.36

Polar Surface Area

68.012

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

1187-2029 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1187-2029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-2029?
Check Price and Availability of 1187-2029, 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 1187-2029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-2029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-2029
  • 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 1187-2029 available by request