6134-2990 Screening compound: 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl 4-(morpholinosulfonyl)benzoate

6134-2990 Screening compound: 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl 4-(morpholinosulfonyl)benzoate
6134-2990 Screening compound: 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl 4-(morpholinosulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6134-2990
3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl 4-(morpholinosulfonyl)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

6134-2990

Molecular Formula

C21H23N3O7S2 (C21 H23 N3 O7 S2)

Compound Name

3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl 4-(morpholinosulfonyl)benzoate

IUPAC name

3-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]propyl 4-(morpholine-4-sulfonyl)benzoate

SMILES

O=C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)OCCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C21H23N3O7S2/c25-21(16-6-8-17(9-7-16)33(28,29)24-11-14-30-15-12-24)31-13-3-10-22-20-18-4-1-2-5-19(18)32(26,27)23-20/h1-2,4-9H,3,10-15H2,(H,22,23)

InChI Key

WXAUMZMWOMACTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04090042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.56

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

1.753

Water Solubility, LogSw

-2.72

Polar Surface Area

112.675

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6134-2990 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6134-2990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6134-2990?
Check Price and Availability of 6134-2990, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6134-2990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6134-2990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6134-2990
  • 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 6134-2990 available by request