V004-8105 Screening compound: N-(butan-2-yl)-N-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide

V004-8105 Screening compound: N-(butan-2-yl)-N-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
V004-8105 Screening compound: N-(butan-2-yl)-N-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8105
N-(butan-2-yl)-N-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide

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

V004-8105

Molecular Formula

C21H30N2O2S (C21 H30 N2 O2 S)

Compound Name

N-(butan-2-yl)-N-({2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide

IUPAC name

N-(butan-2-yl)-N-({2-[(34-dimethylphenoxy)methyl]-13-thiazol-4-yl}methyl)-2-methylpropanamide

SMILES

CCC(C)N(Cc1csc(COc2cc(C)c(C)cc2)n1)C(C(C)C)=O

InChI

InChI=1S/C21H30N2O2S/c1-7-17(6)23(21(24)14(2)3)11-18-13-26-20(22-18)12-25-19-9-8-15(4)16(5)10-19/h8-10,13-14,17H,7,11-12H2,1-6H3/t17-/m0/s1

InChI Key

CWCDRDKLLGIILG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19863841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-5.38

Polar Surface Area

34.273

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with V004-8105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8105?
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What is the minimum amount of V004-8105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8105
  • 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 V004-8105 available by request