4673-0485 Screening compound: 3-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)anilino]carbonyl}phenyl acetate

4673-0485 Screening compound: 3-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)anilino]carbonyl}phenyl acetate
4673-0485 Screening compound: 3-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)anilino]carbonyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4673-0485
3-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)anilino]carbonyl}phenyl acetate

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

4673-0485

Molecular Formula

C25H21N3O3S2 (C25 H21 N3 O3 S2)

Compound Name

3-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)anilino]carbonyl}phenyl acetate

IUPAC name

3-[(2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ylsulfanyl}phenyl)carbamoyl]phenyl acetate

SMILES

CC(Oc1cccc(C(Nc(cccc2)c2Sc2c(c(CCCC3)c3s3)c3ncn2)=O)c1)=O

InChI

InChI=1S/C25H21N3O3S2/c1-15(29)31-17-8-6-7-16(13-17)23(30)28-19-10-3-5-12-21(19)33-25-22-18-9-2-4-11-20(18)32-24(22)26-14-27-25/h3,5-8,10,12-14H,2,4,9,11H2,1H3,(H,28,30)

InChI Key

INJUGVWXJIUHGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03063383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.46

Polar Surface Area

64.078

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4673-0485 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 4673-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4673-0485?
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What is the minimum amount of 4673-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4673-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4673-0485
  • 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 4673-0485 available by request