6214-0921 Screening compound: 3-chloro-N~2~-[4-(dimethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-benzothiophene-2-carboxamide

6214-0921 Screening compound: 3-chloro-N~2~-[4-(dimethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-benzothiophene-2-carboxamide
6214-0921 Screening compound: 3-chloro-N~2~-[4-(dimethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0921
3-chloro-N~2~-[4-(dimethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-benzothiophene-2-carboxamide

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

6214-0921

Molecular Formula

C22H23ClN2O3S2 (C22 H23 ClN2 O3 S2)

Compound Name

3-chloro-N~2~-[4-(dimethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(11-dioxo-1lambda6-thiolan-3-yl)-1-benzothiophene-2-carboxamide

SMILES

CN(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(c(sc2c3cccc2)c3Cl)=O)cc1

InChI

InChI=1S/C22H23ClN2O3S2/c1-24(2)16-9-7-15(8-10-16)13-25(17-11-12-30(27,28)14-17)22(26)21-20(23)18-5-3-4-6-19(18)29-21/h3-10,17H,11-14H2,1-2H3/t17-/m0/s1

InChI Key

SWMWEYGZEYUWOL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04013863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.38

Polar Surface Area

47.411

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

6214-0921 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 6214-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6214-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0921
  • 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 6214-0921 available by request