D538-0040 Screening compound: 6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-chromene-2-carboxamide

D538-0040 Screening compound: 6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-chromene-2-carboxamide
D538-0040 Screening compound: 6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D538-0040
6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-chromene-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

D538-0040

Molecular Formula

C15H12BrN3O3S (C15 H12 BrN3 O3 S)

Compound Name

6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-chromene-2-carboxamide

IUPAC name

6-bromo-4-oxo-N-(5-propyl-134-thiadiazol-2-yl)-4H-chromene-2-carboxamide

SMILES

CCCc1nnc(NC(C(Oc(cc2)c3cc2Br)=CC3=O)=O)s1

InChI

InChI=1S/C15H12BrN3O3S/c1-2-3-13-18-19-15(23-13)17-14(21)12-7-10(20)9-6-8(16)4-5-11(9)22-12/h4-7H,2-3H2,1H3,(H,17,19,21)

InChI Key

HHYZUQONBJKBMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06787055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-4.38

Polar Surface Area

69.188

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D538-0040 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D538-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D538-0040?
Check Price and Availability of D538-0040, 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 D538-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D538-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D538-0040
  • 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 D538-0040 available by request