8015-3050 Screening compound: 2-[4-(4-methyl-3-nitrobenzenesulfonyl)piperazin-1-yl]-1,3-benzoxazole

8015-3050 Screening compound: 2-[4-(4-methyl-3-nitrobenzenesulfonyl)piperazin-1-yl]-1,3-benzoxazole
8015-3050 Screening compound: 2-[4-(4-methyl-3-nitrobenzenesulfonyl)piperazin-1-yl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3050
2-[4-(4-methyl-3-nitrobenzenesulfonyl)piperazin-1-yl]-1,3-benzoxazole

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

8015-3050

Molecular Formula

C18H18N4O5S (C18 H18 N4 O5 S)

Compound Name

2-[4-(4-methyl-3-nitrobenzenesulfonyl)piperazin-1-yl]-1,3-benzoxazole

IUPAC name

2-[4-(4-methyl-3-nitrobenzenesulfonyl)piperazin-1-yl]-13-benzoxazole

SMILES

Cc(ccc(S(N(CC1)CCN1c1nc(cccc2)c2o1)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H18N4O5S/c1-13-6-7-14(12-16(13)22(23)24)28(25,26)21-10-8-20(9-11-21)18-19-15-4-2-3-5-17(15)27-18/h2-7,12H,8-11H2,1H3

InChI Key

YMCADCGDKDMBEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-4.03

Polar Surface Area

85.444

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8015-3050 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-3050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3050?
Check Price and Availability of 8015-3050, 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 8015-3050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3050
  • 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 8015-3050 available by request