V020-7277 Screening compound: 3-tert-butyl-1-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropylurea

V020-7277 Screening compound: 3-tert-butyl-1-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropylurea
V020-7277 Screening compound: 3-tert-butyl-1-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-7277
3-tert-butyl-1-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropylurea

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

V020-7277

Molecular Formula

C25H32ClN3O3S (C25 H32 ClN3 O3 S)

Compound Name

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

IUPAC name

3-tert-butyl-1-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropylurea

SMILES

CC(C)(C)NC(N(CC(N(CC1)C(COc(cc2)cc(C)c2Cl)c2c1scc2)=O)C1CC1)=O

InChI

InChI=1S/C25H32ClN3O3S/c1-16-13-18(7-8-20(16)26)32-15-21-19-10-12-33-22(19)9-11-28(21)23(30)14-29(17-5-6-17)24(31)27-25(2,3)4/h7-8,10,12-13,17,21H,5-6,9,11,14-15H2,1-4H3,(H,27,31)

InChI Key

WQKPPDJBOPZBOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19865226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.07

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

5.953

Distribution Coefficient, logD

5.953

Water Solubility, LogSw

-6.16

Polar Surface Area

48.829

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V020-7277 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 V020-7277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-7277?
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What is the minimum amount of V020-7277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-7277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-7277
  • 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 V020-7277 available by request