K840-0401 Screening compound: methyl 2-({3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl}formamido)acetate

K840-0401 Screening compound: methyl 2-({3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl}formamido)acetate
K840-0401 Screening compound: methyl 2-({3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl}formamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K840-0401
methyl 2-({3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl}formamido)acetate

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

K840-0401

Molecular Formula

C18H16FN3O4S (C18 H16 FN3 O4 S)

Compound Name

methyl 2-({3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl}formamido)acetate

IUPAC name

methyl 2-({3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-6-yl}formamido)acetate

SMILES

Cc1c(C(NCC(OC)=O)=O)sc(N=CN2Cc(cccc3)c3F)c1C2=O

InChI

InChI=1S/C18H16FN3O4S/c1-10-14-17(27-15(10)16(24)20-7-13(23)26-2)21-9-22(18(14)25)8-11-5-3-4-6-12(11)19/h3-6,9H,7-8H2,1-2H3,(H,20,24)

InChI Key

VWRZKUSPKNEJRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-2.51

Polar Surface Area

71.505

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with K840-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0401?
Check Price and Availability of K840-0401, 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 K840-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0401
  • 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 K840-0401 available by request