D549-0068 Screening compound: 2-(5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

D549-0068 Screening compound: 2-(5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
D549-0068 Screening compound: 2-(5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-0068
2-(5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-methyl-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

D549-0068

Molecular Formula

C17H13F2N5S2 (C17 H13 F2 N5 S2)

Compound Name

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

IUPAC name

2-(5-{[(25-difluorophenyl)methyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)thieno[23-b]pyridin-3-amine

SMILES

Cn1c(SCc(cc(cc2)F)c2F)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C17H13F2N5S2/c1-24-15(14-13(20)11-3-2-6-21-16(11)26-14)22-23-17(24)25-8-9-7-10(18)4-5-12(9)19/h2-7H,8,20H2,1H3

InChI Key

ABWKOTQAHIWBJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-4.10

Polar Surface Area

54.589

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D549-0068 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D549-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-0068?
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What is the minimum amount of D549-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-0068
  • 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 D549-0068 available by request