C604-0214 Screening compound: 3-[2-[(2,4-dimethylbenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-isopropylpropanamide

C604-0214 Screening compound: 3-[2-[(2,4-dimethylbenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-isopropylpropanamide
C604-0214 Screening compound: 3-[2-[(2,4-dimethylbenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-isopropylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C604-0214
3-[2-[(2,4-dimethylbenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-isopropylpropanamide

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

C604-0214

Molecular Formula

C25H27N3O2S2 (C25 H27 N3 O2 S2)

Compound Name

3-[2-[(2,4-dimethylbenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-isopropylpropanamide

IUPAC name

3-(4-{[(24-dimethylphenyl)methyl]sulfanyl}-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl)-N-(propan-2-yl)propanamide

SMILES

CC(C)NC(CCN(C1=O)C(SCc2c(C)cc(C)cc2)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C25H27N3O2S2/c1-15(2)26-21(29)11-12-28-24(30)23-22(19-7-5-6-8-20(19)32-23)27-25(28)31-14-18-10-9-16(3)13-17(18)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,26,29)

InChI Key

WDGGKTAFDMXNRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.579

Distribution Coefficient, logD

5.579

Water Solubility, LogSw

-5.52

Polar Surface Area

47.961

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C604-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C604-0214?
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What is the minimum amount of C604-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C604-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C604-0214
  • 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 C604-0214 available by request