D491-6652 Screening compound: N-[3-(5-bromothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

D491-6652 Screening compound: N-[3-(5-bromothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
D491-6652 Screening compound: N-[3-(5-bromothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-6652
N-[3-(5-bromothiophen-2-yl)-1,2,4-thiadiazol-5-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

D491-6652

Molecular Formula

C14H7BrN4O2S3 (C14 H7 BrN4 O2 S3)

Compound Name

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

IUPAC name

N-[3-(5-bromothiophen-2-yl)-124-thiadiazol-5-yl]-5-(thiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c2cccs2)c1)Nc1nc(-c(s2)ccc2Br)ns1

InChI

InChI=1S/C14H7BrN4O2S3/c15-11-4-3-10(23-11)12-16-14(24-19-12)17-13(20)7-6-8(21-18-7)9-2-1-5-22-9/h1-6H,(H,16,17,19,20)

InChI Key

XQGFSSSVCLOZCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-5.39

Polar Surface Area

67.489

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D491-6652 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D491-6652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-6652?
Check Price and Availability of D491-6652, 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 D491-6652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-6652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-6652
  • 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 D491-6652 available by request