C200-1057 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C200-1057 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C200-1057 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1057
3-(2,4-dimethoxyphenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

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

C200-1057

Molecular Formula

C25H23N3O6S (C25 H23 N3 O6 S)

Compound Name

3-(2,4-dimethoxyphenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

4-(24-dimethoxyphenyl)-6-[(4-nitrophenyl)methyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

COc(cc1)cc(OC)c1N(C(c1c(N2Cc(cc3)ccc3[N+]([O-])=O)sc3c1CCCC3)=O)C2=O

InChI

InChI=1S/C25H23N3O6S/c1-33-17-11-12-19(20(13-17)34-2)27-23(29)22-18-5-3-4-6-21(18)35-24(22)26(25(27)30)14-15-7-9-16(10-8-15)28(31)32/h7-13H,3-6,14H2,1-2H3

InChI Key

IMRLSPNSVQODMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.19

Polar Surface Area

79.282

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C200-1057 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1057?
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What is the minimum amount of C200-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1057
  • 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 C200-1057 available by request