K840-0002 Screening compound: N~1~-(2,2-diethoxyethyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

K840-0002 Screening compound: N~1~-(2,2-diethoxyethyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
K840-0002 Screening compound: N~1~-(2,2-diethoxyethyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K840-0002
N~1~-(2,2-diethoxyethyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-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

K840-0002

Molecular Formula

C18H25N3O4S (C18 H25 N3 O4 S)

Compound Name

N~1~-(2,2-diethoxyethyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-(22-diethoxyethyl)-2-{3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamide

SMILES

CCOC(CNC(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)=O)OCC

InChI

InChI=1S/C18H25N3O4S/c1-3-24-15(25-4-2)9-19-14(22)10-21-11-20-17-16(18(21)23)12-7-5-6-8-13(12)26-17/h11,15H,3-10H2,1-2H3,(H,19,22)

InChI Key

HACKECBWPWVBIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.443

Distribution Coefficient, logD

1.443

Water Solubility, LogSw

-1.95

Polar Surface Area

65.559

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

K840-0002 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K840-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0002?
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What is the minimum amount of K840-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0002
  • 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 K840-0002 available by request