C241-1334 Screening compound: ethyl 2-{2-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamido}benzoate

C241-1334 Screening compound: ethyl 2-{2-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamido}benzoate
C241-1334 Screening compound: ethyl 2-{2-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1334
ethyl 2-{2-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamido}benzoate

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

C241-1334

Molecular Formula

C28H26N4O8S (C28 H26 N4 O8 S)

Compound Name

ethyl 2-{2-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[3-(2-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c1c(C(N2CCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O)=O

InChI

InChI=1S/C28H26N4O8S/c1-2-38-27(36)18-5-3-4-6-19(18)30-24(34)15-32-20-10-12-41-25(20)26(35)31(28(32)37)11-9-23(33)29-14-17-7-8-21-22(13-17)40-16-39-21/h3-8,10,12-13H,2,9,11,14-16H2,1H3,(H,29,33)(H,30,34)

InChI Key

HCXRXJJLIQFFBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.384

Water Solubility, LogSw

-3.82

Polar Surface Area

117.056

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C241-1334 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C241-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1334?
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What is the minimum amount of C241-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1334
  • 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 C241-1334 available by request