K801-0988 Screening compound: ethyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-{[(1H-indol-3-yl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

K801-0988 Screening compound: ethyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-{[(1H-indol-3-yl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
K801-0988 Screening compound: ethyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-{[(1H-indol-3-yl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0988
ethyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-{[(1H-indol-3-yl)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

K801-0988

Molecular Formula

C27H27ClN4O4S (C27 H27 ClN4 O4 S)

Compound Name

ethyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-{[(1H-indol-3-yl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

IUPAC name

ethyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-{[(1H-indol-3-yl)methyl]amino}-4H5H6H7H-thieno[23-c]pyridine-6-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(C(Nc(cc(cc1)Cl)c1OC)=O)c(NCc1c[nH]c3c1cccc3)s2)=O

InChI

InChI=1S/C27H27ClN4O4S/c1-3-36-27(34)32-11-10-19-23(15-32)37-26(30-14-16-13-29-20-7-5-4-6-18(16)20)24(19)25(33)31-21-12-17(28)8-9-22(21)35-2/h4-9,12-13,29-30H,3,10-11,14-15H2,1-2H3,(H,31,33)

InChI Key

YIWMUWHYKFUPEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.439

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-6.02

Polar Surface Area

72.796

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K801-0988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0988?
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What is the minimum amount of K801-0988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0988
  • 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 K801-0988 available by request