C200-3670 Screening compound: methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate

C200-3670 Screening compound: methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
C200-3670 Screening compound: methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3670
methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate

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

C200-3670

Molecular Formula

C27H23ClFN3O5S2 (C27 H23 ClFN3 O5 S2)

Compound Name

methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate

IUPAC name

methyl 3-({[11-acetyl-4-(3-chloro-4-fluorophenyl)-3-oxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}methyl)-4-methoxybenzoate

SMILES

CC(N(CC1)Cc2c1c(C(N(c(cc1)cc(Cl)c1F)C(SCc(cc(cc1)C(OC)=O)c1OC)=N1)=O)c1s2)=O

InChI

InChI=1S/C27H23ClFN3O5S2/c1-14(33)31-9-8-18-22(12-31)39-24-23(18)25(34)32(17-5-6-20(29)19(28)11-17)27(30-24)38-13-16-10-15(26(35)37-3)4-7-21(16)36-2/h4-7,10-11H,8-9,12-13H2,1-3H3

InChI Key

SJVKACVCMQOGDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.08

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.915

Water Solubility, LogSw

-5.32

Polar Surface Area

70.916

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C200-3670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3670?
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What is the minimum amount of C200-3670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3670
  • 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 C200-3670 available by request