D473-1501 Screening compound: 2-chloro-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[4-(1-pyrrolidinyl)phenyl]benzamide

D473-1501 Screening compound: 2-chloro-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[4-(1-pyrrolidinyl)phenyl]benzamide
D473-1501 Screening compound: 2-chloro-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[4-(1-pyrrolidinyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1501
2-chloro-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[4-(1-pyrrolidinyl)phenyl]benzamide

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

D473-1501

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

2-chloro-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[4-(1-pyrrolidinyl)phenyl]benzamide

IUPAC name

2-chloro-4-(4-methyl-113-trioxo-1lambda62-thiazolidin-2-yl)-N-[4-(pyrrolidin-1-yl)phenyl]benzamide

SMILES

CC(CS(N1c(cc2)cc(Cl)c2C(Nc(cc2)ccc2N2CCCC2)=O)(=O)=O)C1=O

InChI

InChI=1S/C21H22ClN3O4S/c1-14-13-30(28,29)25(21(14)27)17-8-9-18(19(22)12-17)20(26)23-15-4-6-16(7-5-15)24-10-2-3-11-24/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,23,26)/t14-/m1/s1

InChI Key

YRLGYSJXHNFPTQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10089895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.166

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.85

Polar Surface Area

72.287

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D473-1501 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D473-1501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1501?
Check Price and Availability of D473-1501, 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 D473-1501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1501
  • 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 D473-1501 available by request