V016-9748 Screening compound: 1-(butan-2-yl)-1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-3-(propan-2-yl)urea

V016-9748 Screening compound: 1-(butan-2-yl)-1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-3-(propan-2-yl)urea
V016-9748 Screening compound: 1-(butan-2-yl)-1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9748
1-(butan-2-yl)-1-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-3-(propan-2-yl)urea

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

V016-9748

Molecular Formula

C21H31N3O2S (C21 H31 N3 O2 S)

Compound Name

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

IUPAC name

1-(butan-2-yl)-1-({2-[(23-dimethylphenoxy)methyl]-13-thiazol-4-yl}methyl)-3-(propan-2-yl)urea

SMILES

CCC(C)N(Cc1csc(COc2c(C)c(C)ccc2)n1)C(NC(C)C)=O

InChI

InChI=1S/C21H31N3O2S/c1-7-16(5)24(21(25)22-14(2)3)11-18-13-27-20(23-18)12-26-19-10-8-9-15(4)17(19)6/h8-10,13-14,16H,7,11-12H2,1-6H3,(H,22,25)/t16-/m0/s1

InChI Key

GGZKRICMMXEYRC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19864584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.482

Distribution Coefficient, logD

5.482

Water Solubility, LogSw

-5.38

Polar Surface Area

43.477

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with V016-9748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9748?
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What is the minimum amount of V016-9748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9748
  • 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 V016-9748 available by request