V027-1748 Screening compound: 3-{[(2Z)-2-[(3-chlorobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}-N-[(furan-2-yl)methyl]benzamide

V027-1748 Screening compound: 3-{[(2Z)-2-[(3-chlorobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}-N-[(furan-2-yl)methyl]benzamide
V027-1748 Screening compound: 3-{[(2Z)-2-[(3-chlorobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-1748
3-{[(2Z)-2-[(3-chlorobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}-N-[(furan-2-yl)methyl]benzamide

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

V027-1748

Molecular Formula

C27H20ClN3O3S (C27 H20 ClN3 O3 S)

Compound Name

3-{[(2Z)-2-[(3-chlorobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}-N-[(furan-2-yl)methyl]benzamide

IUPAC name

3-{[(2Z)-2-[(3-chlorobenzoyl)imino]-23-dihydro-13-benzothiazol-3-yl]methyl}-N-[(furan-2-yl)methyl]benzamide

SMILES

O=C(c1cccc(CN(c(cccc2)c2S2)/C2=N/C(c2cccc(Cl)c2)=O)c1)NCc1ccco1

InChI

InChI=1S/C27H20ClN3O3S/c28-21-9-4-8-20(15-21)26(33)30-27-31(23-11-1-2-12-24(23)35-27)17-18-6-3-7-19(14-18)25(32)29-16-22-10-5-13-34-22/h1-15H,16-17H2,(H,29,32)

InChI Key

ZPSVKZPIAQQKLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791955

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.657

Distribution Coefficient, logD

5.657

Water Solubility, LogSw

-5.86

Polar Surface Area

57.421

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

V027-1748 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-1748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1748?
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What is the minimum amount of V027-1748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1748
  • 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 V027-1748 available by request