4161-2590 Screening compound: methyl 2,4-dichloro-5-{[N-(2-methoxyphenyl)2,4-dichloro-5-(methoxycarbonyl)benzenesulfonamido]sulfonyl}benzoate

4161-2590 Screening compound: methyl 2,4-dichloro-5-{[N-(2-methoxyphenyl)2,4-dichloro-5-(methoxycarbonyl)benzenesulfonamido]sulfonyl}benzoate
4161-2590 Screening compound: methyl 2,4-dichloro-5-{[N-(2-methoxyphenyl)2,4-dichloro-5-(methoxycarbonyl)benzenesulfonamido]sulfonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-2590
methyl 2,4-dichloro-5-{[N-(2-methoxyphenyl)2,4-dichloro-5-(methoxycarbonyl)benzenesulfonamido]sulfonyl}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

4161-2590

Molecular Formula

C23H17Cl4NO9S2 (C23 H17 Cl4 NO9 S2)

Compound Name

methyl 2,4-dichloro-5-{[N-(2-methoxyphenyl)2,4-dichloro-5-(methoxycarbonyl)benzenesulfonamido]sulfonyl}benzoate

IUPAC name

methyl 24-dichloro-5-{[N-(2-methoxyphenyl)24-dichloro-5-(methoxycarbonyl)benzenesulfonamido]sulfonyl}benzoate

SMILES

COC(c(c(Cl)c1)cc(S(N(c(cccc2)c2OC)S(c(cc(C(OC)=O)c(Cl)c2)c2Cl)(=O)=O)(=O)=O)c1Cl)=O

InChI

InChI=1S/C23H17Cl4NO9S2/c1-35-19-7-5-4-6-18(19)28(38(31,32)20-8-12(22(29)36-2)14(24)10-16(20)26)39(33,34)21-9-13(23(30)37-3)15(25)11-17(21)27/h4-11H,1-3H3

InChI Key

LLIBMMMYAVXVSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

657.33

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.111

Distribution Coefficient, logD

6.111

Water Solubility, LogSw

-6.26

Polar Surface Area

110.680

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-28.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 4161-2590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-2590?
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What is the minimum amount of 4161-2590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-2590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-2590
  • 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 4161-2590 available by request