V006-1385 Screening compound: 3-tert-butyl-1-(2-methoxyethyl)-1-{2-[5-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea

V006-1385 Screening compound: 3-tert-butyl-1-(2-methoxyethyl)-1-{2-[5-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea
V006-1385 Screening compound: 3-tert-butyl-1-(2-methoxyethyl)-1-{2-[5-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1385
3-tert-butyl-1-(2-methoxyethyl)-1-{2-[5-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}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

V006-1385

Molecular Formula

C27H36N4O5 (C27 H36 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(N(CCOC)CC(N(C(C1)c(cccc2)c2OC)N=C1c1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C27H36N4O5/c1-27(2,3)28-26(33)30(14-15-34-4)18-25(32)31-23(21-12-7-8-13-24(21)36-6)17-22(29-31)19-10-9-11-20(16-19)35-5/h7-13,16,23H,14-15,17-18H2,1-6H3,(H,28,33)/t23-/m0/s1

InChI Key

ACGWNOXGMQVREM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19809607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.35

Polar Surface Area

75.803

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V006-1385 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 V006-1385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1385?
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What is the minimum amount of V006-1385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1385
  • 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 V006-1385 available by request