8013-1430 Screening compound: ethyl 4-(2-{3-[(3,5-dichloropyridin-2-yl)amino]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

8013-1430 Screening compound: ethyl 4-(2-{3-[(3,5-dichloropyridin-2-yl)amino]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
8013-1430 Screening compound: ethyl 4-(2-{3-[(3,5-dichloropyridin-2-yl)amino]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1430
ethyl 4-(2-{3-[(3,5-dichloropyridin-2-yl)amino]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

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

8013-1430

Molecular Formula

C26H23Cl2N5O5S (C26 H23 Cl2 N5 O5 S)

Compound Name

ethyl 4-(2-{3-[(3,5-dichloropyridin-2-yl)amino]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{3-[(35-dichloropyridin-2-yl)amino]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N(C1=S)c(cc2)ccc2OC)=O)N1Nc(ncc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C26H23Cl2N5O5S/c1-3-38-25(36)15-4-6-17(7-5-15)30-22(34)13-21-24(35)32(18-8-10-19(37-2)11-9-18)26(39)33(21)31-23-20(28)12-16(27)14-29-23/h4-12,14,21H,3,13H2,1-2H3,(H,29,31)(H,30,34)/t21-/m0/s1

InChI Key

NACMRRFUZVGHLB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03409288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.51

Polar Surface Area

91.694

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

8013-1430 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8013-1430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1430?
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What is the minimum amount of 8013-1430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1430
  • 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 8013-1430 available by request