C604-0090 Screening compound: 4-[2-({2-[(2-furylmethyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide

C604-0090 Screening compound: 4-[2-({2-[(2-furylmethyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide
C604-0090 Screening compound: 4-[2-({2-[(2-furylmethyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C604-0090
4-[2-({2-[(2-furylmethyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide

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

C604-0090

Molecular Formula

C24H26N4O5S2 (C24 H26 N4 O5 S2)

Compound Name

4-[2-({2-[(2-furylmethyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide

IUPAC name

4-{4-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}-N-(2-methoxyethyl)butanamide

SMILES

COCCNC(CCCN(C1=O)C(SCC(NCc2ccco2)=O)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C24H26N4O5S2/c1-32-13-10-25-19(29)9-4-11-28-23(31)22-21(17-7-2-3-8-18(17)35-22)27-24(28)34-15-20(30)26-14-16-6-5-12-33-16/h2-3,5-8,12H,4,9-11,13-15H2,1H3,(H,25,29)(H,26,30)

InChI Key

SRMNINYXXHWBSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-2.65

Polar Surface Area

89.391

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C604-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C604-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C604-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C604-0090
  • 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 C604-0090 available by request