D337-0728 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

D337-0728 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
D337-0728 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-0728
N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

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

D337-0728

Molecular Formula

C17H11FN4O2S3 (C17 H11 FN4 O2 S3)

Compound Name

N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-5-(thiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c2cccs2)c1)Nc1nnc(SCc(cc2)ccc2F)s1

InChI

InChI=1S/C17H11FN4O2S3/c18-11-5-3-10(4-6-11)9-26-17-21-20-16(27-17)19-15(23)12-8-13(24-22-12)14-2-1-7-25-14/h1-8H,9H2,(H,19,20,23)

InChI Key

WVPUSGQAPISFHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.839

Distribution Coefficient, logD

4.836

Water Solubility, LogSw

-4.85

Polar Surface Area

68.518

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with D337-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0728?
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What is the minimum amount of D337-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0728
  • 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 D337-0728 available by request