6214-0107 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(4-methoxybenzyl)benzamide

6214-0107 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(4-methoxybenzyl)benzamide
6214-0107 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(4-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0107
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(4-methoxybenzyl)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

6214-0107

Molecular Formula

C22H27NO5S (C22 H27 NO5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(4-methoxybenzyl)benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-4-(propan-2-yloxy)benzamide

SMILES

CC(C)Oc(cc1)ccc1C(N(Cc(cc1)ccc1OC)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C22H27NO5S/c1-16(2)28-21-10-6-18(7-11-21)22(24)23(19-12-13-29(25,26)15-19)14-17-4-8-20(27-3)9-5-17/h4-11,16,19H,12-15H2,1-3H3/t19-/m1/s1

InChI Key

VQANRAUHNNEKMP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04011146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-2.87

Polar Surface Area

58.206

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

6214-0107 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6214-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0107?
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What is the minimum amount of 6214-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0107
  • 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 6214-0107 available by request