4408-0637 Screening compound: N~1~-(4-chlorophenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

4408-0637 Screening compound: N~1~-(4-chlorophenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
4408-0637 Screening compound: N~1~-(4-chlorophenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0637
N~1~-(4-chlorophenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

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

4408-0637

Molecular Formula

C18H16ClN3OS2 (C18 H16 ClN3 OS2)

Compound Name

N~1~-(4-chlorophenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

IUPAC name

N-(4-chlorophenyl)-2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ylsulfanyl}acetamide

SMILES

O=C(CSc1ncnc2c1c(CCCC1)c1s2)Nc(cc1)ccc1Cl

InChI

InChI=1S/C18H16ClN3OS2/c19-11-5-7-12(8-6-11)22-15(23)9-24-17-16-13-3-1-2-4-14(13)25-18(16)21-10-20-17/h5-8,10H,1-4,9H2,(H,22,23)

InChI Key

DGKNENGDESZJRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02732537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-5.23

Polar Surface Area

44.083

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 4408-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0637?
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What is the minimum amount of 4408-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0637
  • 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 4408-0637 available by request