K801-0741 Screening compound: ethyl 3-[(2,5-dimethoxyphenyl)carbamoyl]-2-{[(3-fluorophenyl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

K801-0741 Screening compound: ethyl 3-[(2,5-dimethoxyphenyl)carbamoyl]-2-{[(3-fluorophenyl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
K801-0741 Screening compound: ethyl 3-[(2,5-dimethoxyphenyl)carbamoyl]-2-{[(3-fluorophenyl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0741
ethyl 3-[(2,5-dimethoxyphenyl)carbamoyl]-2-{[(3-fluorophenyl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

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

K801-0741

Molecular Formula

C26H28FN3O5S (C26 H28 FN3 O5 S)

Compound Name

ethyl 3-[(2,5-dimethoxyphenyl)carbamoyl]-2-{[(3-fluorophenyl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

IUPAC name

ethyl 3-[(25-dimethoxyphenyl)carbamoyl]-2-{[(3-fluorophenyl)methyl]amino}-4H5H6H7H-thieno[23-c]pyridine-6-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(C(Nc(cc(cc1)OC)c1OC)=O)c(NCc1cc(F)ccc1)s2)=O

InChI

InChI=1S/C26H28FN3O5S/c1-4-35-26(32)30-11-10-19-22(15-30)36-25(28-14-16-6-5-7-17(27)12-16)23(19)24(31)29-20-13-18(33-2)8-9-21(20)34-3/h5-9,12-13,28H,4,10-11,14-15H2,1-3H3,(H,29,31)

InChI Key

SRGOWGFCXUWHJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.720

Water Solubility, LogSw

-4.63

Polar Surface Area

70.469

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with K801-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0741?
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What is the minimum amount of K801-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0741
  • 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 K801-0741 available by request