K305-0382 Screening compound: 1-(carbamoylmethyl)-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0382 Screening compound: 1-(carbamoylmethyl)-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0382 Screening compound: 1-(carbamoylmethyl)-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 K305-0382
1-(carbamoylmethyl)-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

K305-0382

Molecular Formula

C19H17F3N4O4S (C19 H17 F3 N4 O4 S)

Compound Name

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

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(N)=O)C(N2c3c(C(F)(F)F)cccc3)=O)c1C2=O

InChI

InChI=1S/C19H17F3N4O4S/c1-9-13-15(28)26(11-7-5-4-6-10(11)19(20,21)22)18(30)25(8-12(23)27)17(13)31-14(9)16(29)24(2)3/h4-7H,8H2,1-3H3,(H2,23,27)

InChI Key

SEQQFBGVYSMKRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.220

Distribution Coefficient, logD

1.220

Water Solubility, LogSw

-2.42

Polar Surface Area

80.466

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

K305-0382 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K305-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0382?
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What is the minimum amount of K305-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0382
  • 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 K305-0382 available by request