D549-2100 Screening compound: 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

D549-2100 Screening compound: 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
D549-2100 Screening compound: 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-2100
2-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-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

D549-2100

Molecular Formula

C19H18BrN5OS2 (C19 H18 BrN5 OS2)

Compound Name

2-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

IUPAC name

2-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-124-triazol-3-yl)thieno[23-b]pyridin-3-amine

SMILES

COCCn1c(SCc(cc2)ccc2Br)nnc1-c(sc1c2cccn1)c2N

InChI

InChI=1S/C19H18BrN5OS2/c1-26-10-9-25-17(16-15(21)14-3-2-8-22-18(14)28-16)23-24-19(25)27-11-12-4-6-13(20)7-5-12/h2-8H,9-11,21H2,1H3

InChI Key

IRZGYFDITKLVEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.11

Polar Surface Area

62.100

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D549-2100 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D549-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-2100?
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What is the minimum amount of D549-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-2100
  • 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 D549-2100 available by request