3202-0065 Screening compound: N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

3202-0065 Screening compound: N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
3202-0065 Screening compound: N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0065
N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-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

3202-0065

Molecular Formula

C17H11Br2N3O4S (C17 H11 Br2 N3 O4 S)

Compound Name

N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{5-[(24-dibromophenoxy)methyl]-134-thiadiazol-2-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1nnc(COc(ccc(Br)c2)c2Br)s1

InChI

InChI=1S/C17H11Br2N3O4S/c18-10-2-4-12(11(19)6-10)24-7-15-21-22-17(27-15)20-16(23)9-1-3-13-14(5-9)26-8-25-13/h1-6H,7-8H2,(H,20,22,23)

InChI Key

OGDZTZBMEORJTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02033648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.95

Polar Surface Area

71.800

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3202-0065 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3202-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0065?
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What is the minimum amount of 3202-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0065
  • 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 3202-0065 available by request