8015-1447 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide

8015-1447 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide
8015-1447 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1447
N~1~-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide

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

8015-1447

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

N~1~-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-4-(N-methylbenzenesulfonamido)-3-phenylbutanamide

SMILES

Cc1cc(NC(CC(CN(C)S(c2ccccc2)(=O)=O)c2ccccc2)=O)no1

InChI

InChI=1S/C21H23N3O4S/c1-16-13-20(23-28-16)22-21(25)14-18(17-9-5-3-6-10-17)15-24(2)29(26,27)19-11-7-4-8-12-19/h3-13,18H,14-15H2,1-2H3,(H,22,23,25)/t18-/m0/s1

InChI Key

UQJOWWRFGXPRSO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03855871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-3.90

Polar Surface Area

77.476

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

8015-1447 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8015-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1447?
Check Price and Availability of 8015-1447, 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 8015-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1447
  • 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 8015-1447 available by request