V009-0757 Screening compound: 1-(butan-2-yl)-3-ethyl-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea

V009-0757 Screening compound: 1-(butan-2-yl)-3-ethyl-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea
V009-0757 Screening compound: 1-(butan-2-yl)-3-ethyl-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0757
1-(butan-2-yl)-3-ethyl-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea

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

V009-0757

Molecular Formula

C21H31N3OS2 (C21 H31 N3 OS2)

Compound Name

1-(butan-2-yl)-3-ethyl-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-1,3-thiazol-4-yl)methyl]thiourea

IUPAC name

1-(butan-2-yl)-3-ethyl-1-[(2-{[2-(propan-2-yl)phenoxy]methyl}-13-thiazol-4-yl)methyl]thiourea

SMILES

CCC(C)N(Cc1csc(COc2c(C(C)C)cccc2)n1)C(NCC)=S

InChI

InChI=1S/C21H31N3OS2/c1-6-16(5)24(21(26)22-7-2)12-17-14-27-20(23-17)13-25-19-11-9-8-10-18(19)15(3)4/h8-11,14-16H,6-7,12-13H2,1-5H3,(H,22,26)/t16-/m0/s1

InChI Key

DWDYWAQZYLAVOW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19864636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.894

Distribution Coefficient, logD

5.894

Water Solubility, LogSw

-5.65

Polar Surface Area

29.557

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

V009-0757 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V009-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0757?
Check Price and Availability of V009-0757, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V009-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0757
  • 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 V009-0757 available by request