3202-0030 Screening compound: 4-bromo-N-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)benzamide

3202-0030 Screening compound: 4-bromo-N-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)benzamide
3202-0030 Screening compound: 4-bromo-N-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0030
4-bromo-N-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-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

3202-0030

Molecular Formula

C20H20BrN3O2S (C20 H20 BrN3 O2 S)

Compound Name

4-bromo-N-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

4-bromo-N-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-134-thiadiazol-2-yl)benzamide

SMILES

CC(C)c(ccc(C)c1)c1OCc1nnc(NC(c(cc2)ccc2Br)=O)s1

InChI

InChI=1S/C20H20BrN3O2S/c1-12(2)16-9-4-13(3)10-17(16)26-11-18-23-24-20(27-18)22-19(25)14-5-7-15(21)8-6-14/h4-10,12H,11H2,1-3H3,(H,22,24,25)

InChI Key

PVJUENYGHDDVSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.163

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-5.37

Polar Surface Area

54.684

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3202-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0030?
Check Price and Availability of 3202-0030, 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 3202-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0030
  • 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 3202-0030 available by request