D328-0037 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-trimethoxybenzamide

D328-0037 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-trimethoxybenzamide
D328-0037 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0037
N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-trimethoxybenzamide

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

D328-0037

Molecular Formula

C19H22BrNO7S (C19 H22 BrNO7 S)

Compound Name

N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-trimethoxybenzamide

IUPAC name

N-[(5-bromofuran-2-yl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-345-trimethoxybenzamide

SMILES

COc1cc(C(N(Cc(o2)ccc2Br)C(CC2)CS2(=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H22BrNO7S/c1-25-15-8-12(9-16(26-2)18(15)27-3)19(22)21(10-14-4-5-17(20)28-14)13-6-7-29(23,24)11-13/h4-5,8-9,13H,6-7,10-11H2,1-3H3/t13-/m0/s1

InChI Key

FXDKFYUWZIOQHS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD08549540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.71

Polar Surface Area

74.934

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D328-0037 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D328-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0037?
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What is the minimum amount of D328-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0037
  • 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 D328-0037 available by request