D087-0550 Screening compound: N~3~-[4-(dimethylamino)phenyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

D087-0550 Screening compound: N~3~-[4-(dimethylamino)phenyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
D087-0550 Screening compound: N~3~-[4-(dimethylamino)phenyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0550
N~3~-[4-(dimethylamino)phenyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

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

D087-0550

Molecular Formula

C12H18N2O4S2 (C12 H18 N2 O4 S2)

Compound Name

N~3~-[4-(dimethylamino)phenyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

IUPAC name

N-[4-(dimethylamino)phenyl]-11-dioxo-1lambda6-thiolane-3-sulfonamide

SMILES

CN(C)c(cc1)ccc1NS(C(CC1)CS1(=O)=O)(=O)=O

InChI

InChI=1S/C12H18N2O4S2/c1-14(2)11-5-3-10(4-6-11)13-20(17,18)12-7-8-19(15,16)9-12/h3-6,12-13H,7-9H2,1-2H3/t12-/m1/s1

InChI Key

JLEJJYCPUCXXIP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09982524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.956

Distribution Coefficient, logD

0.893

Water Solubility, LogSw

-2.21

Polar Surface Area

72.322

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D087-0550 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with D087-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0550?
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What is the minimum amount of D087-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0550
  • 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 D087-0550 available by request