D337-2117 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-ethoxyphenyl)-N~3~-(4-fluorobenzyl)-3-isoxazolecarboxamide

D337-2117 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-ethoxyphenyl)-N~3~-(4-fluorobenzyl)-3-isoxazolecarboxamide
D337-2117 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-ethoxyphenyl)-N~3~-(4-fluorobenzyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-2117
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-ethoxyphenyl)-N~3~-(4-fluorobenzyl)-3-isoxazolecarboxamide

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

D337-2117

Molecular Formula

C23H23FN2O5S (C23 H23 FN2 O5 S)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-ethoxyphenyl)-N~3~-(4-fluorobenzyl)-3-isoxazolecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-12-oxazole-3-carboxamide

SMILES

CCOc(cc1)ccc1-c1cc(C(N(Cc(cc2)ccc2F)C(CC2)CS2(=O)=O)=O)no1

InChI

InChI=1S/C23H23FN2O5S/c1-2-30-20-9-5-17(6-10-20)22-13-21(25-31-22)23(27)26(19-11-12-32(28,29)15-19)14-16-3-7-18(24)8-4-16/h3-10,13,19H,2,11-12,14-15H2,1H3/t19-/m1/s1

InChI Key

CBTYVQGWKAFUPP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12915421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.32

Polar Surface Area

72.519

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-8.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D337-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-2117?
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What is the minimum amount of D337-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-2117
  • 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 D337-2117 available by request