D076-0124 Screening compound: 2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)benzamide

D076-0124 Screening compound: 2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)benzamide
D076-0124 Screening compound: 2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0124
2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)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

D076-0124

Molecular Formula

C18H17BrFNO3S (C18 H17 BrFNO3 S)

Compound Name

2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)benzamide

IUPAC name

2-bromo-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]benzamide

SMILES

O=C(c(cccc1)c1Br)N(Cc1cc(F)ccc1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C18H17BrFNO3S/c19-17-7-2-1-6-16(17)18(22)21(15-8-9-25(23,24)12-15)11-13-4-3-5-14(20)10-13/h1-7,10,15H,8-9,11-12H2/t15-/m0/s1

InChI Key

IHMUWRYQJOJQRP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06648761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.462

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-2.95

Polar Surface Area

43.860

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D076-0124 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D076-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0124?
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What is the minimum amount of D076-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0124
  • 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 D076-0124 available by request