V028-1444 Screening compound: N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide

V028-1444 Screening compound: N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
V028-1444 Screening compound: N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1444
N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-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

V028-1444

Molecular Formula

C23H30ClN3O3S (C23 H30 ClN3 O3 S)

Compound Name

N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide

IUPAC name

N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide

SMILES

CN(C)c(cc1)c(CN(CC2OCCC2)C(c2cccs2)=O)cc1NC(CCCCl)=O

InChI

InChI=1S/C23H30ClN3O3S/c1-26(2)20-10-9-18(25-22(28)8-3-11-24)14-17(20)15-27(16-19-6-4-12-30-19)23(29)21-7-5-13-31-21/h5,7,9-10,13-14,19H,3-4,6,8,11-12,15-16H2,1-2H3,(H,25,28)/t19-/m1/s1

InChI Key

TVBMWTDQWSWAKO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19973338

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.85

Polar Surface Area

51.504

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V028-1444 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 V028-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1444?
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What is the minimum amount of V028-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1444
  • 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 V028-1444 available by request