4371-6993 Screening compound: 2-(2-chloro-4-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)acetic acid

4371-6993 Screening compound: 2-(2-chloro-4-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)acetic acid
4371-6993 Screening compound: 2-(2-chloro-4-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4371-6993
2-(2-chloro-4-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-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

4371-6993

Molecular Formula

C20H16Cl2N2O6 (C20 H16 Cl2 N2 O6)

Compound Name

2-(2-chloro-4-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)acetic acid

IUPAC name

2-(2-chloro-4-{[(4Z)-1-[(4-chlorophenyl)methyl]-25-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)acetic acid

SMILES

COc1cc(/C=C(/C(N2Cc(cc3)ccc3Cl)=O)\NC2=O)cc(Cl)c1OCC(O)=O

InChI

InChI=1S/C20H16Cl2N2O6/c1-29-16-8-12(6-14(22)18(16)30-10-17(25)26)7-15-19(27)24(20(28)23-15)9-11-2-4-13(21)5-3-11/h2-8H,9-10H2,1H3,(H,23,28)(H,25,26)

InChI Key

BAOXABBXPPXWOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

-0.269

Water Solubility, LogSw

-4.27

Polar Surface Area

84.357

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4371-6993 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4371-6993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4371-6993?
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What is the minimum amount of 4371-6993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4371-6993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4371-6993
  • 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 4371-6993 available by request