C665-0232 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine

C665-0232 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine
C665-0232 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C665-0232
1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine

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

C665-0232

Molecular Formula

C18H17N5O5S2 (C18 H17 N5 O5 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-3-(345-trimethoxyphenyl)-1H-pyrazol-5-amine

SMILES

COc1cc(-c(cc2N)nn2S(c2cccc3nsnc23)(=O)=O)cc(OC)c1OC

InChI

InChI=1S/C18H17N5O5S2/c1-26-13-7-10(8-14(27-2)18(13)28-3)12-9-16(19)23(20-12)30(24,25)15-6-4-5-11-17(15)22-29-21-11/h4-9H,19H2,1-3H3

InChI Key

YZEFYOQDOKGTGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

2.375

Water Solubility, LogSw

-2.80

Polar Surface Area

104.126

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C665-0232 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C665-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C665-0232?
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What is the minimum amount of C665-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C665-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C665-0232
  • 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 C665-0232 available by request