3633-0023 Screening compound: ethyl 2-[(2Z)-2-[(5-bromofuran-2-yl)formamido]-3-(4-bromophenyl)prop-2-enamido]-3-methylbutanoate

3633-0023 Screening compound: ethyl 2-[(2Z)-2-[(5-bromofuran-2-yl)formamido]-3-(4-bromophenyl)prop-2-enamido]-3-methylbutanoate
3633-0023 Screening compound: ethyl 2-[(2Z)-2-[(5-bromofuran-2-yl)formamido]-3-(4-bromophenyl)prop-2-enamido]-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3633-0023
ethyl 2-[(2Z)-2-[(5-bromofuran-2-yl)formamido]-3-(4-bromophenyl)prop-2-enamido]-3-methylbutanoate

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

3633-0023

Molecular Formula

C21H22Br2N2O5 (C21 H22 Br2 N2 O5)

Compound Name

ethyl 2-[(2Z)-2-[(5-bromofuran-2-yl)formamido]-3-(4-bromophenyl)prop-2-enamido]-3-methylbutanoate

IUPAC name

ethyl 2-[(2Z)-2-[(5-bromofuran-2-yl)formamido]-3-(4-bromophenyl)prop-2-enamido]-3-methylbutanoate

SMILES

CCOC(C(C(C)C)NC(/C(/NC(c(o1)ccc1Br)=O)=C/c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C21H22Br2N2O5/c1-4-29-21(28)18(12(2)3)25-19(26)15(11-13-5-7-14(22)8-6-13)24-20(27)16-9-10-17(23)30-16/h5-12,18H,4H2,1-3H3,(H,24,27)(H,25,26)/t18-/m0/s1

InChI Key

PHOXYZVABCJRNX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03826595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.951

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-4.46

Polar Surface Area

75.880

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

3633-0023 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3633-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3633-0023?
Check Price and Availability of 3633-0023, 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 3633-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3633-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3633-0023
  • 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 3633-0023 available by request