D072-0790 Screening compound: 4-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazol-5-amine

D072-0790 Screening compound: 4-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazol-5-amine
D072-0790 Screening compound: 4-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0790
4-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazol-5-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

D072-0790

Molecular Formula

C23H17FN2O5S (C23 H17 FN2 O5 S)

Compound Name

4-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazol-5-amine

IUPAC name

4-(benzenesulfonyl)-N-[(2H-13-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-13-oxazol-5-amine

SMILES

O=S(c1c(NCc(cc2)cc3c2OCO3)oc(-c(cc2)ccc2F)n1)(c1ccccc1)=O

InChI

InChI=1S/C23H17FN2O5S/c24-17-9-7-16(8-10-17)21-26-23(32(27,28)18-4-2-1-3-5-18)22(31-21)25-13-15-6-11-19-20(12-15)30-14-29-19/h1-12,25H,13-14H2

InChI Key

DDUSPKDUHASIFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04525959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.46

Polar Surface Area

75.117

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D072-0790 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D072-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0790?
Check Price and Availability of D072-0790, 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 D072-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0790
  • 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 D072-0790 available by request