4215-0123 Screening compound: 3-{[(E)-1-(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4215-0123 Screening compound: 3-{[(E)-1-(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4215-0123 Screening compound: 3-{[(E)-1-(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4215-0123
3-{[(E)-1-(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

4215-0123

Molecular Formula

C18H16BrN3O2S (C18 H16 BrN3 O2 S)

Compound Name

3-{[(E)-1-(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-[(E)-[(3-bromo-4-methoxyphenyl)methylidene]amino]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

COc(ccc(/C=N/N(C=Nc1c2c(CCCC3)c3s1)C2=O)c1)c1Br

InChI

InChI=1S/C18H16BrN3O2S/c1-24-14-7-6-11(8-13(14)19)9-21-22-10-20-17-16(18(22)23)12-4-2-3-5-15(12)25-17/h6-10H,2-5H2,1H3

InChI Key

BTBUOSRATUXDPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-4.33

Polar Surface Area

43.667

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 4215-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4215-0123?
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What is the minimum amount of 4215-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4215-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4215-0123
  • 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 4215-0123 available by request