1153-0163 Screening compound: 1,5-dibenzyl 2-[(2E)-3-phenylprop-2-enamido]pentanedioate

1153-0163 Screening compound: 1,5-dibenzyl 2-[(2E)-3-phenylprop-2-enamido]pentanedioate
1153-0163 Screening compound: 1,5-dibenzyl 2-[(2E)-3-phenylprop-2-enamido]pentanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1153-0163
1,5-dibenzyl 2-[(2E)-3-phenylprop-2-enamido]pentanedioate

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

1153-0163

Molecular Formula

C28H27NO5 (C28 H27 NO5)

Compound Name

1,5-dibenzyl 2-[(2E)-3-phenylprop-2-enamido]pentanedioate

IUPAC name

15-dibenzyl 2-[(2E)-3-phenylprop-2-enamido]pentanedioate

SMILES

O=C(CCC(C(OCc1ccccc1)=O)NC(/C=C/c1ccccc1)=O)OCc1ccccc1

InChI

InChI=1S/C28H27NO5/c30-26(18-16-22-10-4-1-5-11-22)29-25(28(32)34-21-24-14-8-3-9-15-24)17-19-27(31)33-20-23-12-6-2-7-13-23/h1-16,18,25H,17,19-21H2,(H,29,30)/t25-/m0/s1

InChI Key

LYTBZGAJDUHEJQ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01118909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.09

Polar Surface Area

65.461

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

1153-0163 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1153-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1153-0163?
Check Price and Availability of 1153-0163, 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 1153-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1153-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1153-0163
  • 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 1153-0163 available by request