7070-3083 Screening compound: N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

7070-3083 Screening compound: N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
7070-3083 Screening compound: N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7070-3083
N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-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

7070-3083

Molecular Formula

C20H12ClN3O4 (C20 H12 ClN3 O4)

Compound Name

N-(2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(2-chloro-5-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cc(cc1)-c2nc(nccc3)c3o2)c1Cl

InChI

InChI=1S/C20H12ClN3O4/c21-13-5-3-12(20-24-18-16(28-20)2-1-7-22-18)8-14(13)23-19(25)11-4-6-15-17(9-11)27-10-26-15/h1-9H,10H2,(H,23,25)

InChI Key

VCSAIWPENSQRSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04505951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.79

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

4.123

Distribution Coefficient, logD

4.122

Water Solubility, LogSw

-4.50

Polar Surface Area

66.932

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

7070-3083 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7070-3083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7070-3083?
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What is the minimum amount of 7070-3083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7070-3083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7070-3083
  • 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 7070-3083 available by request