D370-0072 Screening compound: N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

D370-0072 Screening compound: N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
D370-0072 Screening compound: N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D370-0072
N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-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

D370-0072

Molecular Formula

C17H12BrN3O4 (C17 H12 BrN3 O4)

Compound Name

N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-[4-(4-bromophenyl)-125-oxadiazol-3-yl]-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

O=C(C1Oc(cccc2)c2OC1)Nc1nonc1-c(cc1)ccc1Br

InChI

InChI=1S/C17H12BrN3O4/c18-11-7-5-10(6-8-11)15-16(21-25-20-15)19-17(22)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H,19,21,22)/t14-/m0/s1

InChI Key

FJNVWZLUGAYOOS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08547256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.438

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.59

Polar Surface Area

75.523

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

D370-0072 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D370-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D370-0072?
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What is the minimum amount of D370-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D370-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D370-0072
  • 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 D370-0072 available by request