K305-0422 Screening compound: 3-benzyl-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0422 Screening compound: 3-benzyl-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0422 Screening compound: 3-benzyl-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0422
3-benzyl-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N,N,5-trimethyl-2,4-dioxo-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

K305-0422

Molecular Formula

C27H32N4O4S (C27 H32 N4 O4 S)

Compound Name

3-benzyl-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

3-benzyl-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-NN5-trimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(NCCC2=CCCCC2)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C27H32N4O4S/c1-18-22-24(33)30(16-20-12-8-5-9-13-20)27(35)31(26(22)36-23(18)25(34)29(2)3)17-21(32)28-15-14-19-10-6-4-7-11-19/h5,8-10,12-13H,4,6-7,11,14-17H2,1-3H3,(H,28,32)

InChI Key

RTTQOVGLRQHBDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.32

Polar Surface Area

72.224

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K305-0422 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K305-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0422?
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What is the minimum amount of K305-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0422
  • 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 K305-0422 available by request