C800-0662 Screening compound: 4-(4-fluorophenyl)-N~5~-(4-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

C800-0662 Screening compound: 4-(4-fluorophenyl)-N~5~-(4-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
C800-0662 Screening compound: 4-(4-fluorophenyl)-N~5~-(4-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0662
4-(4-fluorophenyl)-N~5~-(4-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

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

C800-0662

Molecular Formula

C28H26FN3OS (C28 H26 FN3 OS)

Compound Name

4-(4-fluorophenyl)-N~5~-(4-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

7-(4-fluorophenyl)-N-(4-methylphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

Cc(cc1)ccc1NC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c(cc1)ccc1F)=O

InChI

InChI=1S/C28H26FN3OS/c1-18-8-14-21(15-9-18)30-28(33)32-17-23-22-5-2-3-7-25(22)34-27(23)31-16-4-6-24(31)26(32)19-10-12-20(29)13-11-19/h4,6,8-16,26H,2-3,5,7,17H2,1H3,(H,30,33)/t26-/m0/s1

InChI Key

LNLVSQMOEYJZPH-SANMLTNESA-N

MDL Number (MFCD)

MFCD14799798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.316

Distribution Coefficient, logD

7.316

Water Solubility, LogSw

-5.60

Polar Surface Area

26.943

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C800-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0662?
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What is the minimum amount of C800-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0662
  • 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 C800-0662 available by request