4300-0235 Screening compound: 2-bromo-3,4,5-trimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

4300-0235 Screening compound: 2-bromo-3,4,5-trimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
4300-0235 Screening compound: 2-bromo-3,4,5-trimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0235
2-bromo-3,4,5-trimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

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

4300-0235

Molecular Formula

C15H18BrN3O4S (C15 H18 BrN3 O4 S)

Compound Name

2-bromo-3,4,5-trimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

2-bromo-345-trimethoxy-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]benzamide

SMILES

CC(C)c1nnc(NC(c(c(Br)c2OC)cc(OC)c2OC)=O)s1

InChI

InChI=1S/C15H18BrN3O4S/c1-7(2)14-18-19-15(24-14)17-13(20)8-6-9(21-3)11(22-4)12(23-5)10(8)16/h6-7H,1-5H3,(H,17,19,20)

InChI Key

FSUSNJURARBXJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02348339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-4.03

Polar Surface Area

69.939

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4300-0235 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4300-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0235?
Check Price and Availability of 4300-0235, 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 4300-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0235
  • 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 4300-0235 available by request