F952-0087 Screening compound: 3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one

F952-0087 Screening compound: 3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one
F952-0087 Screening compound: 3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F952-0087
3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one

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

F952-0087

Molecular Formula

C23H25N3O4S2 (C23 H25 N3 O4 S2)

Compound Name

3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(1234-tetrahydroquinoline-1-sulfonyl)-23-dihydro-13-benzothiazol-2-one

SMILES

O=C(CCN(c(ccc(S(N(CCC1)c2c1cccc2)(=O)=O)c1)c1S1)C1=O)N1CCCC1

InChI

InChI=1S/C23H25N3O4S2/c27-22(24-12-3-4-13-24)11-15-25-20-10-9-18(16-21(20)31-23(25)28)32(29,30)26-14-5-7-17-6-1-2-8-19(17)26/h1-2,6,8-10,16H,3-5,7,11-15H2

InChI Key

IPBAHGTZYGXAAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.87

Polar Surface Area

63.701

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F952-0087 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F952-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F952-0087?
Check Price and Availability of F952-0087, 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 F952-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F952-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F952-0087
  • 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 F952-0087 available by request