C200-1904 Screening compound: 1,4-dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate

C200-1904 Screening compound: 1,4-dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
C200-1904 Screening compound: 1,4-dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1904
1,4-dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate

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

C200-1904

Molecular Formula

C27H29N5O7S2 (C27 H29 N5 O7 S2)

Compound Name

1,4-dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(N2CCN(CCN(C(c(ccc(C(OC)=O)c3)c3N3)=O)C3=S)CC2)=S)c1C(OC)=O)=O

InChI

InChI=1S/C27H29N5O7S2/c1-37-23(34)16-4-6-18-20(14-16)29-27(41)32(22(18)33)13-10-30-8-11-31(12-9-30)26(40)28-21-15-17(24(35)38-2)5-7-19(21)25(36)39-3/h4-7,14-15H,8-13H2,1-3H3,(H,28,40)(H,29,41)

InChI Key

CZIVVNFQPNJFSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.69

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.94

Polar Surface Area

104.809

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C200-1904 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C200-1904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1904
  • 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 C200-1904 available by request