C614-0213 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(4-tert-butylphenyl)-1H-pyrazol-5-amine

C614-0213 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(4-tert-butylphenyl)-1H-pyrazol-5-amine
C614-0213 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(4-tert-butylphenyl)-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0213
1-(2,1,3-benzothiadiazole-4-sulfonyl)-3-(4-tert-butylphenyl)-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

C614-0213

Molecular Formula

C19H19N5O2S2 (C19 H19 N5 O2 S2)

Compound Name

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

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-3-(4-tert-butylphenyl)-1H-pyrazol-5-amine

SMILES

CC(C)(C)c(cc1)ccc1-c(cc1N)nn1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C19H19N5O2S2/c1-19(2,3)13-9-7-12(8-10-13)15-11-17(20)24(21-15)28(25,26)16-6-4-5-14-18(16)23-27-22-14/h4-11H,20H2,1-3H3

InChI Key

BMTVOWCKPJMNOW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.710

Distribution Coefficient, logD

4.710

Water Solubility, LogSw

-4.65

Polar Surface Area

81.148

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C614-0213 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C614-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0213?
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What is the minimum amount of C614-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0213
  • 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 C614-0213 available by request