4883-0053 Screening compound: 2-[5-(4-fluorophenyl)-2-furyl]-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

4883-0053 Screening compound: 2-[5-(4-fluorophenyl)-2-furyl]-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
4883-0053 Screening compound: 2-[5-(4-fluorophenyl)-2-furyl]-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4883-0053
2-[5-(4-fluorophenyl)-2-furyl]-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

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

4883-0053

Molecular Formula

C20H18FN3O2S (C20 H18 FN3 O2 S)

Compound Name

2-[5-(4-fluorophenyl)-2-furyl]-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

IUPAC name

5-[5-(4-fluorophenyl)furan-2-yl]-11-methyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-trien-3-ol

SMILES

CN(CC1)Cc2c1c(C(O)=NC(c1ccc(-c(cc3)ccc3F)o1)N1)c1s2

InChI

InChI=1S/C20H18FN3O2S/c1-24-9-8-13-16(10-24)27-20-17(13)19(25)22-18(23-20)15-7-6-14(26-15)11-2-4-12(21)5-3-11/h2-7,18,23H,8-10H2,1H3,(H,22,25)/t18-/m1/s1

InChI Key

VFTLZBGWLQIIJQ-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-4.04

Polar Surface Area

47.418

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4883-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4883-0053?
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What is the minimum amount of 4883-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4883-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4883-0053
  • 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 4883-0053 available by request