8015-5004 Screening compound: N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide

8015-5004 Screening compound: N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide
8015-5004 Screening compound: N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5004
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide

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

8015-5004

Molecular Formula

C27H24N4O5S2 (C27 H24 N4 O5 S2)

Compound Name

N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide

IUPAC name

N-(5-benzyl-134-thiadiazol-2-yl)-4-methoxy-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide

SMILES

COc(ccc(C(Nc1nnc(Cc2ccccc2)s1)=O)c1)c1S(N(CC(C1)c2ccccc2)C1=O)(=O)=O

InChI

InChI=1S/C27H24N4O5S2/c1-36-22-13-12-20(26(33)28-27-30-29-24(37-27)14-18-8-4-2-5-9-18)15-23(22)38(34,35)31-17-21(16-25(31)32)19-10-6-3-7-11-19/h2-13,15,21H,14,16-17H2,1H3,(H,28,30,33)/t21-/m1/s1

InChI Key

PXDGXVJNOFWVJO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04061842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.37

Polar Surface Area

100.242

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.52

8015-5004 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-5004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5004?
Check Price and Availability of 8015-5004, 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 8015-5004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5004
  • 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 8015-5004 available by request