C604-0141 Screening compound: 4-[2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-isopropoxypropyl)butanamide

C604-0141 Screening compound: 4-[2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-isopropoxypropyl)butanamide
C604-0141 Screening compound: 4-[2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-isopropoxypropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C604-0141
4-[2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-isopropoxypropyl)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

C604-0141

Molecular Formula

C22H28N4O4S2 (C22 H28 N4 O4 S2)

Compound Name

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

IUPAC name

4-{4-[(carbamoylmethyl)sulfanyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}-N-[3-(propan-2-yloxy)propyl]butanamide

SMILES

CC(C)OCCCNC(CCCN(C1=O)C(SCC(N)=O)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C22H28N4O4S2/c1-14(2)30-12-6-10-24-18(28)9-5-11-26-21(29)20-19(25-22(26)31-13-17(23)27)15-7-3-4-8-16(15)32-20/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H2,23,27)(H,24,28)

InChI Key

LUFSOLGTDAZZIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

1.274

Water Solubility, LogSw

-2.22

Polar Surface Area

89.689

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with C604-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C604-0141?
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What is the minimum amount of C604-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C604-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C604-0141
  • 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 C604-0141 available by request