K263-0181 Screening compound: 3-(2,2-dimethoxyethyl)-8-nitro-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one

K263-0181 Screening compound: 3-(2,2-dimethoxyethyl)-8-nitro-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
K263-0181 Screening compound: 3-(2,2-dimethoxyethyl)-8-nitro-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0181
3-(2,2-dimethoxyethyl)-8-nitro-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one

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

K263-0181

Molecular Formula

C14H13N3O5S2 (C14 H13 N3 O5 S2)

Compound Name

3-(2,2-dimethoxyethyl)-8-nitro-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one

IUPAC name

5-(22-dimethoxyethyl)-12-nitro-4-sulfanylidene-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-6-one

SMILES

COC(CN(C(c(sc(cc1)c2cc1[N+]([O-])=O)c2N1)=O)C1=S)OC

InChI

InChI=1S/C14H13N3O5S2/c1-21-10(22-2)6-16-13(18)12-11(15-14(16)23)8-5-7(17(19)20)3-4-9(8)24-12/h3-5,10H,6H2,1-2H3,(H,15,23)

InChI Key

LBEMZABZCSJHBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05027633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.884

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-2.74

Polar Surface Area

74.960

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K263-0181 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K263-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0181?
Check Price and Availability of K263-0181, 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 K263-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0181
  • 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 K263-0181 available by request