V026-0179 Screening compound: 1-tert-butyl-1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-ethylurea

V026-0179 Screening compound: 1-tert-butyl-1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-ethylurea
V026-0179 Screening compound: 1-tert-butyl-1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-0179
1-tert-butyl-1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-ethylurea

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

V026-0179

Molecular Formula

C25H35N3O3S (C25 H35 N3 O3 S)

Compound Name

1-tert-butyl-1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-ethylurea

IUPAC name

1-tert-butyl-1-(2-{4-[(24-dimethylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-3-ethylurea

SMILES

CCNC(N(CC(N(CC1)C(COc2c(C)cc(C)cc2)c2c1scc2)=O)C(C)(C)C)=O

InChI

InChI=1S/C25H35N3O3S/c1-7-26-24(30)28(25(4,5)6)15-23(29)27-12-10-22-19(11-13-32-22)20(27)16-31-21-9-8-17(2)14-18(21)3/h8-9,11,13-14,20H,7,10,12,15-16H2,1-6H3,(H,26,30)/t20-/m0/s1

InChI Key

DJIFWPAOVHALRV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19867480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.20

Polar Surface Area

50.520

Acid Dissociation Constant (pKa)

17.53

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V026-0179 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V026-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-0179?
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What is the minimum amount of V026-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-0179
  • 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 V026-0179 available by request