C727-0177 Screening compound: 1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl}-1,2,3,4-tetrahydroquinoline

C727-0177 Screening compound: 1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl}-1,2,3,4-tetrahydroquinoline
C727-0177 Screening compound: 1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C727-0177
1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl}-1,2,3,4-tetrahydroquinoline

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

C727-0177

Molecular Formula

C27H25FN4OS (C27 H25 FN4 OS)

Compound Name

1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl}-1,2,3,4-tetrahydroquinoline

IUPAC name

1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-13-benzothiazol-2-yl}-1234-tetrahydroquinoline

SMILES

O=C(c1cccc2c1nc(N(CCC1)c3c1cccc3)s2)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C27H25FN4OS/c28-20-10-12-21(13-11-20)30-15-17-31(18-16-30)26(33)22-7-3-9-24-25(22)29-27(34-24)32-14-4-6-19-5-1-2-8-23(19)32/h1-3,5,7-13H,4,6,14-18H2

InChI Key

ASUAJROAOPWWRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.848

Distribution Coefficient, logD

5.844

Water Solubility, LogSw

-5.88

Polar Surface Area

32.570

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C727-0177 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C727-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C727-0177?
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What is the minimum amount of C727-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C727-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C727-0177
  • 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 C727-0177 available by request