D076-0244 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)benzamide

D076-0244 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)benzamide
D076-0244 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0244
4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-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

D076-0244

Molecular Formula

C22H26FNO4S (C22 H26 FNO4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1C(N(Cc(cccc1)c1F)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C22H26FNO4S/c1-2-3-13-28-20-10-8-17(9-11-20)22(25)24(19-12-14-29(26,27)16-19)15-18-6-4-5-7-21(18)23/h4-11,19H,2-3,12-16H2,1H3/t19-/m1/s1

InChI Key

HNPZANYTMUZOQO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06646536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-3.81

Polar Surface Area

51.277

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with D076-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0244?
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What is the minimum amount of D076-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0244
  • 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 D076-0244 available by request