K698-0056 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]acetamide

K698-0056 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]acetamide
K698-0056 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K698-0056
N~1~-(3-chloro-4-methylphenyl)-2-[4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]acetamide

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

K698-0056

Molecular Formula

C18H16ClN3O2S (C18 H16 ClN3 O2 S)

Compound Name

N~1~-(3-chloro-4-methylphenyl)-2-[4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{12-oxo-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-11-yl}acetamide

SMILES

Cc(ccc(NC(CN(C=Nc1c2c(CCC3)c3s1)C2=O)=O)c1)c1Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-10-5-6-11(7-13(10)19)21-15(23)8-22-9-20-17-16(18(22)24)12-3-2-4-14(12)25-17/h5-7,9H,2-4,8H2,1H3,(H,21,23)

InChI Key

KSUBBCGZKBRZOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07996721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.58

Polar Surface Area

49.677

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

K698-0056 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K698-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K698-0056?
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What is the minimum amount of K698-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K698-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K698-0056
  • 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 K698-0056 available by request