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

InChI

InChI=1S/C16H9BrN4O3S/c17-13-7-6-11(23-13)14-18-16(25-21-14)19-15(22)10-8-12(24-20-10)9-4-2-1-3-5-9/h1-8H,(H,18,19,21,22)

InChI Key

BIHRWFBIIDBUMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832455

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?
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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