3237-0636 Screening compound: ethyl 4-(4-bromophenyl)-2-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enamido]thiophene-3-carboxylate

3237-0636 Screening compound: ethyl 4-(4-bromophenyl)-2-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enamido]thiophene-3-carboxylate
3237-0636 Screening compound: ethyl 4-(4-bromophenyl)-2-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0636
ethyl 4-(4-bromophenyl)-2-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enamido]thiophene-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

3237-0636

Molecular Formula

C24H23BrN2O3S (C24 H23 BrN2 O3 S)

Compound Name

ethyl 4-(4-bromophenyl)-2-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enamido]thiophene-3-carboxylate

IUPAC name

ethyl 4-(4-bromophenyl)-2-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c(cc2)ccc2N(C)C)=O)scc1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C24H23BrN2O3S/c1-4-30-24(29)22-20(17-8-10-18(25)11-9-17)15-31-23(22)26-21(28)14-7-16-5-12-19(13-6-16)27(2)3/h5-15H,4H2,1-3H3,(H,26,28)

InChI Key

WACVXSQMBAAYBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.375

Distribution Coefficient, logD

6.360

Water Solubility, LogSw

-5.70

Polar Surface Area

46.197

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3237-0636 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3237-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0636?
Check Price and Availability of 3237-0636, 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 3237-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0636
  • 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 3237-0636 available by request