V011-1826 Screening compound: 1-(cyclopropylmethyl)-1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-ethylurea

V011-1826 Screening compound: 1-(cyclopropylmethyl)-1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-ethylurea
V011-1826 Screening compound: 1-(cyclopropylmethyl)-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 V011-1826
1-(cyclopropylmethyl)-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

V011-1826

Molecular Formula

C25H33N3O3S (C25 H33 N3 O3 S)

Compound Name

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

SMILES

CCNC(N(CC1CC1)CC(N(CC1)C(COc2c(C)cc(C)cc2)c2c1scc2)=O)=O

InChI

InChI=1S/C25H33N3O3S/c1-4-26-25(30)27(14-19-6-7-19)15-24(29)28-11-9-23-20(10-12-32-23)21(28)16-31-22-8-5-17(2)13-18(22)3/h5,8,10,12-13,19,21H,4,6-7,9,11,14-16H2,1-3H3,(H,26,30)/t21-/m0/s1

InChI Key

SGBLFCVCNUFKLR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19867496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.01

Polar Surface Area

50.665

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V011-1826 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V011-1826 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V011-1826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1826
  • 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 V011-1826 available by request