D491-4651 Screening compound: N-[3-(5-bromofuran-2-yl)-1,2,4-thiadiazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide

D491-4651 Screening compound: N-[3-(5-bromofuran-2-yl)-1,2,4-thiadiazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
D491-4651 Screening compound: N-[3-(5-bromofuran-2-yl)-1,2,4-thiadiazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4651
N-[3-(5-bromofuran-2-yl)-1,2,4-thiadiazol-5-yl]-5-phenyl-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

D491-4651

Molecular Formula

C16H9BrN4O3S (C16 H9 BrN4 O3 S)

Compound Name

N-[3-(5-bromofuran-2-yl)-1,2,4-thiadiazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide

IUPAC name

N-[3-(5-bromofuran-2-yl)-124-thiadiazol-5-yl]-5-phenyl-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c2ccccc2)c1)Nc1nc(-c(o2)ccc2Br)ns1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

4.588

Water Solubility, LogSw

-4.53

Polar Surface Area

74.378

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D491-4651 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D491-4651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4651?
Check Price and Availability of D491-4651, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D491-4651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4651
  • 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 D491-4651 available by request