C341-0013 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

C341-0013 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
C341-0013 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C341-0013
N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

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

C341-0013

Molecular Formula

C25H19ClN4O6S (C25 H19 ClN4 O6 S)

Compound Name

N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-[4-(5-chloro-13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

Cc(cc(cc1)NS(c(cc2)cc(C(N3C)=O)c2N(C)C3=O)(=O)=O)c1N(C(c(cc1)c2cc1Cl)=O)C2=O

InChI

InChI=1S/C25H19ClN4O6S/c1-13-10-15(5-8-20(13)30-23(32)17-7-4-14(26)11-18(17)24(30)33)27-37(35,36)16-6-9-21-19(12-16)22(31)29(3)25(34)28(21)2/h4-12,27H,1-3H3

InChI Key

HTPWOZIDSKCXFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.97

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.47

Polar Surface Area

100.331

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C341-0013 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C341-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C341-0013?
Check Price and Availability of C341-0013, 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 C341-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C341-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C341-0013
  • 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 C341-0013 available by request