D051-0120 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]benzamide

D051-0120 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]benzamide
D051-0120 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0120
4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]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

D051-0120

Molecular Formula

C17H18ClNO4S (C17 H18 ClNO4 S)

Compound Name

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

IUPAC name

4-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

SMILES

Cc1ccc(CN(C(CC2)CS2(=O)=O)C(c(cc2)ccc2Cl)=O)o1

InChI

InChI=1S/C17H18ClNO4S/c1-12-2-7-16(23-12)10-19(15-8-9-24(21,22)11-15)17(20)13-3-5-14(18)6-4-13/h2-7,15H,8-11H2,1H3/t15-/m0/s1

InChI Key

QVJOBJZBRFVVPM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06645448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-3.08

Polar Surface Area

51.123

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D051-0120 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D051-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0120?
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What is the minimum amount of D051-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0120
  • 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 D051-0120 available by request