8016-8430 Screening compound: N~1~-[(Z)-1-({[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}carbonyl)-2-(2-furyl)-1-ethenyl]-4-bromobenzamide

8016-8430 Screening compound: N~1~-[(Z)-1-({[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}carbonyl)-2-(2-furyl)-1-ethenyl]-4-bromobenzamide
8016-8430 Screening compound: N~1~-[(Z)-1-({[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}carbonyl)-2-(2-furyl)-1-ethenyl]-4-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8430
N~1~-[(Z)-1-({[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}carbonyl)-2-(2-furyl)-1-ethenyl]-4-bromobenzamide

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

8016-8430

Molecular Formula

C23H19BrN4O3 (C23 H19 BrN4 O3)

Compound Name

N~1~-[(Z)-1-({[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}carbonyl)-2-(2-furyl)-1-ethenyl]-4-bromobenzamide

IUPAC name

(2Z)-N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamide

SMILES

O=C(/C(/NC(c(cc1)ccc1Br)=O)=C/c1ccco1)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C23H19BrN4O3/c24-16-9-7-15(8-10-16)22(29)28-20(14-17-4-3-13-31-17)23(30)25-12-11-21-26-18-5-1-2-6-19(18)27-21/h1-10,13-14H,11-12H2,(H,25,30)(H,26,27)(H,28,29)

InChI Key

QGXHRZSBNXTZCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04165673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-4.33

Polar Surface Area

74.448

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8016-8430 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8016-8430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8430?
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What is the minimum amount of 8016-8430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8430
  • 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 8016-8430 available by request