V006-7913 Screening compound: 3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

V006-7913 Screening compound: 3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea
V006-7913 Screening compound: 3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7913
3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)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

V006-7913

Molecular Formula

C26H33FN4O4 (C26 H33 FN4 O4)

Compound Name

3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

IUPAC name

3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

SMILES

CC(C)(C)NC(N(CCOC)CC(N(C(C1)c(cccc2)c2OC)N=C1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C26H33FN4O4/c1-26(2,3)28-25(33)30(14-15-34-4)17-24(32)31-22(19-11-7-9-13-23(19)35-5)16-21(29-31)18-10-6-8-12-20(18)27/h6-13,22H,14-17H2,1-5H3,(H,28,33)/t22-/m1/s1

InChI Key

XKJFJQFYCAGULH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19978180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.31

Polar Surface Area

68.259

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V006-7913 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 V006-7913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7913?
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What is the minimum amount of V006-7913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7913
  • 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 V006-7913 available by request