V017-9898 Screening compound: 3-tert-butyl-1-(2-methylpropyl)-1-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

V017-9898 Screening compound: 3-tert-butyl-1-(2-methylpropyl)-1-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
V017-9898 Screening compound: 3-tert-butyl-1-(2-methylpropyl)-1-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9898
3-tert-butyl-1-(2-methylpropyl)-1-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]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

V017-9898

Molecular Formula

C28H41N3O3S (C28 H41 N3 O3 S)

Compound Name

3-tert-butyl-1-(2-methylpropyl)-1-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

IUPAC name

3-tert-butyl-1-(2-methylpropyl)-1-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)ethyl]urea

SMILES

CC(C)CN(CC(N(CC1)C(COc2ccc(C(C)C)cc2)c2c1scc2)=O)C(NC(C)(C)C)=O

InChI

InChI=1S/C28H41N3O3S/c1-19(2)16-30(27(33)29-28(5,6)7)17-26(32)31-14-12-25-23(13-15-35-25)24(31)18-34-22-10-8-21(9-11-22)20(3)4/h8-11,13,15,19-20,24H,12,14,16-18H2,1-7H3,(H,29,33)/t24-/m0/s1

InChI Key

XUQAJQTUTFNHSZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19867298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.598

Distribution Coefficient, logD

6.598

Water Solubility, LogSw

-5.68

Polar Surface Area

49.525

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

V017-9898 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 V017-9898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9898?
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What is the minimum amount of V017-9898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9898
  • 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 V017-9898 available by request