8010-0499 Screening compound: 2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 4-bromobenzoate

8010-0499 Screening compound: 2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 4-bromobenzoate
8010-0499 Screening compound: 2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0499
2-[({4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl}sulfonyl)-4-methylanilino]ethyl 4-bromobenzoate

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

8010-0499

Molecular Formula

C29H24BrN3O6S2 (C29 H24 BrN3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(CCOC(c(cc1)ccc1Br)=O)S(c(cc1)ccc1NC(c1c2cccc1)=NS2(=O)=O)(=O)=O

InChI

InChI=1S/C29H24BrN3O6S2/c1-20-6-14-24(15-7-20)33(18-19-39-29(34)21-8-10-22(30)11-9-21)41(37,38)25-16-12-23(13-17-25)31-28-26-4-2-3-5-27(26)40(35,36)32-28/h2-17H,18-19H2,1H3,(H,31,32)

InChI Key

QXGNSXVAEOGSCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01579597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

654.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.164

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-5.55

Polar Surface Area

103.424

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.34

References: we are preparing a list of scientific research reports with 8010-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0499?
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What is the minimum amount of 8010-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0499
  • 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 8010-0499 available by request