D076-0128 Screening compound: 2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)acetamide

D076-0128 Screening compound: 2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)acetamide
D076-0128 Screening compound: 2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0128
2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)acetamide

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

D076-0128

Molecular Formula

C19H19BrFNO4S (C19 H19 BrFNO4 S)

Compound Name

2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)acetamide

IUPAC name

2-(4-bromophenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]acetamide

SMILES

O=C(COc(cc1)ccc1Br)N(Cc1cc(F)ccc1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C19H19BrFNO4S/c20-15-4-6-18(7-5-15)26-12-19(23)22(17-8-9-27(24,25)13-17)11-14-2-1-3-16(21)10-14/h1-7,10,17H,8-9,11-13H2/t17-/m0/s1

InChI Key

VHSWOMYZGVZWLB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06649187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-3.13

Polar Surface Area

50.831

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D076-0128 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D076-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0128?
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What is the minimum amount of D076-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0128
  • 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 D076-0128 available by request