L790-0039 Screening compound: 5-bromo-N-(5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

L790-0039 Screening compound: 5-bromo-N-(5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
L790-0039 Screening compound: 5-bromo-N-(5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L790-0039
5-bromo-N-(5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-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

L790-0039

Molecular Formula

C16H10BrN5O3S2 (C16 H10 BrN5 O3 S2)

Compound Name

5-bromo-N-(5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

IUPAC name

5-bromo-N-(5-{[(5-phenyl-134-oxadiazol-2-yl)methyl]sulfanyl}-134-thiadiazol-2-yl)furan-2-carboxamide

SMILES

O=C(c(o1)ccc1Br)Nc1nnc(SCc2nnc(-c3ccccc3)o2)s1

InChI

InChI=1S/C16H10BrN5O3S2/c17-11-7-6-10(24-11)13(23)18-15-21-22-16(27-15)26-8-12-19-20-14(25-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,21,23)

InChI Key

WHPGRJCOFBGKLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-4.29

Polar Surface Area

85.071

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

L790-0039 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L790-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0039?
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What is the minimum amount of L790-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0039
  • 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 L790-0039 available by request