C604-0021 Screening compound: 4-[2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-hydroxyethyl)butanamide

C604-0021 Screening compound: 4-[2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-hydroxyethyl)butanamide
C604-0021 Screening compound: 4-[2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-hydroxyethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C604-0021
4-[2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-hydroxyethyl)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

C604-0021

Molecular Formula

C18H20N4O4S2 (C18 H20 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~-(2-hydroxyethyl)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-(2-hydroxyethyl)butanamide

SMILES

NC(CSC(N(CCCC(NCCO)=O)C1=O)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C18H20N4O4S2/c19-13(24)10-27-18-21-15-11-4-1-2-5-12(11)28-16(15)17(26)22(18)8-3-6-14(25)20-7-9-23/h1-2,4-5,23H,3,6-10H2,(H2,19,24)(H,20,25)

InChI Key

AZPVJFKNWIRKHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.105

Distribution Coefficient, logD

-0.105

Water Solubility, LogSw

-1.92

Polar Surface Area

99.144

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C604-0021 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C604-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C604-0021?
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What is the minimum amount of C604-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C604-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C604-0021
  • 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 C604-0021 available by request