C597-0504 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide

C597-0504 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide
C597-0504 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0504
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide

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

C597-0504

Molecular Formula

C22H23N5O6S2 (C22 H23 N5 O6 S2)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-2-(N-methyl13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CN(C)S(c(cc1)cc(C(N3C)=O)c1N(C)C3=O)(=O)=O)=O)s2

InChI

InChI=1S/C22H23N5O6S2/c1-5-33-13-6-8-16-18(10-13)34-21(23-16)24-19(28)12-25(2)35(31,32)14-7-9-17-15(11-14)20(29)27(4)22(30)26(17)3/h6-11H,5,12H2,1-4H3,(H,23,24,28)

InChI Key

ZEWVGHDEPZAULI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.73

Polar Surface Area

103.940

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C597-0504 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C597-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0504?
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What is the minimum amount of C597-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0504
  • 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 C597-0504 available by request