V008-3853 Screening compound: 4-chloro-N~1~-(4-(dimethylamino)-3-{[(2,2-dimethylpropanoyl)(1-phenylethyl)amino]methyl}phenyl)butanamide

V008-3853 Screening compound: 4-chloro-N~1~-(4-(dimethylamino)-3-{[(2,2-dimethylpropanoyl)(1-phenylethyl)amino]methyl}phenyl)butanamide
V008-3853 Screening compound: 4-chloro-N~1~-(4-(dimethylamino)-3-{[(2,2-dimethylpropanoyl)(1-phenylethyl)amino]methyl}phenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3853
4-chloro-N~1~-(4-(dimethylamino)-3-{[(2,2-dimethylpropanoyl)(1-phenylethyl)amino]methyl}phenyl)butanamide

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

V008-3853

Molecular Formula

C26H36ClN3O2 (C26 H36 ClN3 O2)

Compound Name

4-chloro-N~1~-(4-(dimethylamino)-3-{[(2,2-dimethylpropanoyl)(1-phenylethyl)amino]methyl}phenyl)butanamide

IUPAC name

4-chloro-N-(3-{[22-dimethyl-N-(1-phenylethyl)propanamido]methyl}-4-(dimethylamino)phenyl)butanamide

SMILES

CC(c1ccccc1)N(Cc(cc(cc1)NC(CCCCl)=O)c1N(C)C)C(C(C)(C)C)=O

InChI

InChI=1S/C26H36ClN3O2/c1-19(20-11-8-7-9-12-20)30(25(32)26(2,3)4)18-21-17-22(14-15-23(21)29(5)6)28-24(31)13-10-16-27/h7-9,11-12,14-15,17,19H,10,13,16,18H2,1-6H3,(H,28,31)/t19-/m0/s1

InChI Key

IYFHPXRDPLQXLZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19973280

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.268

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.27

Polar Surface Area

41.467

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

References: we are preparing a list of scientific research reports with V008-3853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3853?
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What is the minimum amount of V008-3853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3853
  • 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 V008-3853 available by request