D549-2007 Screening compound: 2-(4-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

D549-2007 Screening compound: 2-(4-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
D549-2007 Screening compound: 2-(4-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-2007
2-(4-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-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

D549-2007

Molecular Formula

C18H16FN5S2 (C18 H16 FN5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCc(cccc2)c2F)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C18H16FN5S2/c1-2-24-16(15-14(20)12-7-5-9-21-17(12)26-15)22-23-18(24)25-10-11-6-3-4-8-13(11)19/h3-9H,2,10,20H2,1H3

InChI Key

RRBYQZFTMUSDNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.159

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.24

Polar Surface Area

53.504

Acid Dissociation Constant (pKa)

19.95

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D549-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-2007?
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What is the minimum amount of D549-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-2007
  • 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 D549-2007 available by request