C660-0628 Screening compound: 3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C660-0628 Screening compound: 3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
C660-0628 Screening compound: 3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0628
3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

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

C660-0628

Molecular Formula

C19H13ClN4O3 (C19 H13 ClN4 O3)

Compound Name

3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

3-(3-chlorophenyl)-N-(23-dihydro-14-benzodioxin-6-yl)-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

Clc1cc(-c2noc3ncnc(Nc(cc4)cc5c4OCCO5)c23)ccc1

InChI

InChI=1S/C19H13ClN4O3/c20-12-3-1-2-11(8-12)17-16-18(21-10-22-19(16)27-24-17)23-13-4-5-14-15(9-13)26-7-6-25-14/h1-5,8-10H,6-7H2,(H,21,22,23)

InChI Key

ZGLQFIFDOJBQMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-4.05

Polar Surface Area

67.524

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C660-0628 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C660-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0628?
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What is the minimum amount of C660-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0628
  • 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 C660-0628 available by request