D337-1658 Screening compound: 5-(3,4-dimethylphenyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-methoxybenzyl)-3-isoxazolecarboxamide

D337-1658 Screening compound: 5-(3,4-dimethylphenyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-methoxybenzyl)-3-isoxazolecarboxamide
D337-1658 Screening compound: 5-(3,4-dimethylphenyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-methoxybenzyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1658
5-(3,4-dimethylphenyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-methoxybenzyl)-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

D337-1658

Molecular Formula

C24H26N2O5S (C24 H26 N2 O5 S)

Compound Name

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

IUPAC name

5-(34-dimethylphenyl)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-12-oxazole-3-carboxamide

SMILES

Cc(cc1)c(C)cc1-c1cc(C(N(Cc2cc(OC)ccc2)C(CC2)CS2(=O)=O)=O)no1

InChI

InChI=1S/C24H26N2O5S/c1-16-7-8-19(11-17(16)2)23-13-22(25-31-23)24(27)26(20-9-10-32(28,29)15-20)14-18-5-4-6-21(12-18)30-3/h4-8,11-13,20H,9-10,14-15H2,1-3H3/t20-/m1/s1

InChI Key

KUKGPBUANFHQTC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12915563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-3.99

Polar Surface Area

72.939

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D337-1658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1658?
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What is the minimum amount of D337-1658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1658
  • 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 D337-1658 available by request