6243-0787 Screening compound: 2-(4-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-2-bromo-6-methoxyphenoxy)acetic acid

6243-0787 Screening compound: 2-(4-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-2-bromo-6-methoxyphenoxy)acetic acid
6243-0787 Screening compound: 2-(4-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-2-bromo-6-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6243-0787
2-(4-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-2-bromo-6-methoxyphenoxy)acetic acid

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

6243-0787

Molecular Formula

C22H17BrN4O4 (C22 H17 BrN4 O4)

Compound Name

2-(4-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-2-bromo-6-methoxyphenoxy)acetic acid

IUPAC name

2-(4-{[(5E)-2-amino-37-dicyano-46-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-2-bromo-6-methoxyphenoxy)acetic acid

SMILES

CC(/C(/c1c(C)c(C#N)c(N)nc11)=C\c(cc2OC)cc(Br)c2OCC(O)=O)=C1C#N

InChI

InChI=1S/C22H17BrN4O4/c1-10-13(19-11(2)15(8-25)22(26)27-20(19)14(10)7-24)4-12-5-16(23)21(17(6-12)30-3)31-9-18(28)29/h4-6H,9H2,1-3H3,(H2,26,27)(H,28,29)

InChI Key

IZJCYYUYWAHSFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04023706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

-0.815

Water Solubility, LogSw

-3.73

Polar Surface Area

108.226

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6243-0787 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 6243-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6243-0787?
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What is the minimum amount of 6243-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6243-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6243-0787
  • 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 6243-0787 available by request