6214-0508 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide

6214-0508 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide
6214-0508 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0508
N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide

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

6214-0508

Molecular Formula

C24H31NO6S (C24 H31 NO6 S)

Compound Name

N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-4-(2-methylpropoxy)benzamide

SMILES

CC(C)COc(cc1)ccc1C(N(Cc(cc1)cc(OC)c1OC)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C24H31NO6S/c1-17(2)15-31-21-8-6-19(7-9-21)24(26)25(20-11-12-32(27,28)16-20)14-18-5-10-22(29-3)23(13-18)30-4/h5-10,13,17,20H,11-12,14-16H2,1-4H3/t20-/m1/s1

InChI Key

JVGQFAUXNHWRSI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04028866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-3.39

Polar Surface Area

66.620

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

6214-0508 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 6214-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0508?
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What is the minimum amount of 6214-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0508
  • 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 6214-0508 available by request