3810-0222 Screening compound: 2-[5-(2-chloro-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3810-0222 Screening compound: 2-[5-(2-chloro-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3810-0222 Screening compound: 2-[5-(2-chloro-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3810-0222
2-[5-(2-chloro-4-nitrophenyl)-2-furyl]-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

3810-0222

Molecular Formula

C20H14ClN3O4S (C20 H14 ClN3 O4 S)

Compound Name

2-[5-(2-chloro-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

[O-][N+](c(cc1)cc(Cl)c1-c1ccc(C(N2)=Nc(sc3c4CCCC3)c4C2=O)o1)=O

InChI

InChI=1S/C20H14ClN3O4S/c21-13-9-10(24(26)27)5-6-11(13)14-7-8-15(28-14)18-22-19(25)17-12-3-1-2-4-16(12)29-20(17)23-18/h5-9H,1-4H2,(H,22,23,25)

InChI Key

ZOUUZKYBZOGKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02919736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.137

Water Solubility, LogSw

-5.85

Polar Surface Area

76.495

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3810-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3810-0222?
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What is the minimum amount of 3810-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3810-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3810-0222
  • 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 3810-0222 available by request