K305-0379 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0379 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0379 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0379
1-(3,3-dimethyl-2-oxobutyl)-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

K305-0379

Molecular Formula

C23H24F3N3O4S (C23 H24 F3 N3 O4 S)

Compound Name

1-(3,3-dimethyl-2-oxobutyl)-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

1-(33-dimethyl-2-oxobutyl)-NN5-trimethyl-24-dioxo-3-[2-(trifluoromethyl)phenyl]-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CC(C)(C)C(CN(c(sc(C(N(C)C)=O)c1C)c1C(N1c2c(C(F)(F)F)cccc2)=O)C1=O)=O

InChI

InChI=1S/C23H24F3N3O4S/c1-12-16-18(31)29(14-10-8-7-9-13(14)23(24,25)26)21(33)28(11-15(30)22(2,3)4)20(16)34-17(12)19(32)27(5)6/h7-10H,11H2,1-6H3

InChI Key

UTXRFWZLJCPXQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-4.11

Polar Surface Area

60.325

Acid Dissociation Constant (pKa)

20.17

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K305-0379 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K305-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0379?
Check Price and Availability of K305-0379, 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 K305-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0379
  • 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 K305-0379 available by request