V028-9885 Screening compound: 2-{[(2Z)-2-[(3-chlorobenzoyl)imino]-5-methyl-2,3-dihydro-1,3-thiazol-3-yl]methyl}-N-[2-(dimethylamino)ethyl]benzamide

V028-9885 Screening compound: 2-{[(2Z)-2-[(3-chlorobenzoyl)imino]-5-methyl-2,3-dihydro-1,3-thiazol-3-yl]methyl}-N-[2-(dimethylamino)ethyl]benzamide
V028-9885 Screening compound: 2-{[(2Z)-2-[(3-chlorobenzoyl)imino]-5-methyl-2,3-dihydro-1,3-thiazol-3-yl]methyl}-N-[2-(dimethylamino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9885
2-{[(2Z)-2-[(3-chlorobenzoyl)imino]-5-methyl-2,3-dihydro-1,3-thiazol-3-yl]methyl}-N-[2-(dimethylamino)ethyl]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

V028-9885

Molecular Formula

C23H25ClN4O2S (C23 H25 ClN4 O2 S)

Compound Name

2-{[(2Z)-2-[(3-chlorobenzoyl)imino]-5-methyl-2,3-dihydro-1,3-thiazol-3-yl]methyl}-N-[2-(dimethylamino)ethyl]benzamide

IUPAC name

2-{[(2Z)-2-[(3-chlorobenzoyl)imino]-5-methyl-23-dihydro-13-thiazol-3-yl]methyl}-N-[2-(dimethylamino)ethyl]benzamide

SMILES

CC(S1)=CN(Cc(cccc2)c2C(NCCN(C)C)=O)/C1=N/C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C23H25ClN4O2S/c1-16-14-28(23(31-16)26-21(29)17-8-6-9-19(24)13-17)15-18-7-4-5-10-20(18)22(30)25-11-12-27(2)3/h4-10,13-14H,11-12,15H2,1-3H3,(H,25,30)

InChI Key

HUMPGYFSRLOKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19796779

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.666

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-4.11

Polar Surface Area

54.781

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V028-9885 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V028-9885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9885?
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What is the minimum amount of V028-9885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9885
  • 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 V028-9885 available by request