D549-2000 Screening compound: 2-(5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

D549-2000 Screening compound: 2-(5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
D549-2000 Screening compound: 2-(5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-2000
2-(5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-ethyl-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

D549-2000

Molecular Formula

C18H15F2N5S2 (C18 H15 F2 N5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCc(cc(cc2)F)c2F)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C18H15F2N5S2/c1-2-25-16(15-14(21)12-4-3-7-22-17(12)27-15)23-24-18(25)26-9-10-8-11(19)5-6-13(10)20/h3-8H,2,9,21H2,1H3

InChI Key

ADMLDJNITYLOMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

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

4.365

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.48

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 D549-2000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-2000?
Check Price and Availability of D549-2000, 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 D549-2000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-2000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-2000
  • 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 D549-2000 available by request