C597-0622 Screening compound: N-benzyl-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(propan-2-yl)acetamide

C597-0622 Screening compound: N-benzyl-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(propan-2-yl)acetamide
C597-0622 Screening compound: N-benzyl-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0622
N-benzyl-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(propan-2-yl)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

C597-0622

Molecular Formula

C23H28N4O5S (C23 H28 N4 O5 S)

Compound Name

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

IUPAC name

N-benzyl-2-(N-methyl13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(propan-2-yl)acetamide

SMILES

CC(C)N(Cc1ccccc1)C(CN(C)S(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C23H28N4O5S/c1-16(2)27(14-17-9-7-6-8-10-17)21(28)15-24(3)33(31,32)18-11-12-20-19(13-18)22(29)26(5)23(30)25(20)4/h6-13,16H,14-15H2,1-5H3

InChI Key

PKRFNMLCGYCRPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.353

Distribution Coefficient, logD

2.353

Water Solubility, LogSw

-3.24

Polar Surface Area

79.604

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C597-0622 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C597-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0622?
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What is the minimum amount of C597-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0622
  • 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 C597-0622 available by request