D076-0333 Screening compound: 3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-methoxybenzamide

D076-0333 Screening compound: 3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-methoxybenzamide
D076-0333 Screening compound: 3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0333
3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-methoxybenzamide

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

D076-0333

Molecular Formula

C19H19ClFNO4S (C19 H19 ClFNO4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(N(Cc(cccc1)c1F)C(CC1)CS1(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C19H19ClFNO4S/c1-26-18-7-6-13(10-16(18)20)19(23)22(15-8-9-27(24,25)12-15)11-14-4-2-3-5-17(14)21/h2-7,10,15H,8-9,11-12H2,1H3/t15-/m0/s1

InChI Key

ZODIRQLAFGMFOL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06648369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-3.37

Polar Surface Area

51.490

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with D076-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0333?
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What is the minimum amount of D076-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0333
  • 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 D076-0333 available by request