H025-3005C Screening compound: N-[4-(dimethylamino)benzyl]-N-methyl-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]amine

H025-3005C Screening compound: N-[4-(dimethylamino)benzyl]-N-methyl-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]amine
H025-3005C Screening compound: N-[4-(dimethylamino)benzyl]-N-methyl-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3005C
N-[4-(dimethylamino)benzyl]-N-methyl-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]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

H025-3005C

Molecular Formula

C23H22N6O2S2 (C23 H22 N6 O2 S2)

Compound Name

N-[4-(dimethylamino)benzyl]-N-methyl-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]amine

IUPAC name

10-(benzenesulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-N-methyl-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

CN(C)c1ccc(CN(C)c(c(scc2)c2n2nn3)nc2c3S(c2ccccc2)(=O)=O)cc1

InChI

InChI=1S/C23H22N6O2S2/c1-27(2)17-11-9-16(10-12-17)15-28(3)21-20-19(13-14-32-20)29-22(24-21)23(25-26-29)33(30,31)18-7-5-4-6-8-18/h4-14H,15H2,1-3H3

InChI Key

SREYOKUEKNYYOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214686

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.42

Polar Surface Area

68.453

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

H025-3005C in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with H025-3005C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3005C?
Check Price and Availability of H025-3005C, 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 H025-3005C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3005C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3005C
  • 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 H025-3005C available by request