2461-0007 Screening compound: 2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 2-methoxybenzoate

2461-0007 Screening compound: 2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 2-methoxybenzoate
2461-0007 Screening compound: 2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2461-0007
2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 2-methoxybenzoate

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

2461-0007

Molecular Formula

C30H27N3O7S2 (C30 H27 N3 O7 S2)

Compound Name

2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 2-methoxybenzoate

IUPAC name

2-[N-(4-methylphenyl)4-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]benzenesulfonamido]ethyl 2-methoxybenzoate

SMILES

Cc(cc1)ccc1N(CCOC(c(cccc1)c1OC)=O)S(c(cc1)ccc1NC(c1c2cccc1)=NS2(=O)=O)(=O)=O

InChI

InChI=1S/C30H27N3O7S2/c1-21-11-15-23(16-12-21)33(19-20-40-30(34)25-7-3-5-9-27(25)39-2)42(37,38)24-17-13-22(14-18-24)31-29-26-8-4-6-10-28(26)41(35,36)32-29/h3-18H,19-20H2,1-2H3,(H,31,32)

InChI Key

IXBHXIMYVGMFEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01422955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.985

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.63

Polar Surface Area

111.055

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 2461-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2461-0007?
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What is the minimum amount of 2461-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2461-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2461-0007
  • 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 2461-0007 available by request