V007-3454 Screening compound: 1-[(3-chlorophenyl)methyl]-1-{[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-ethylurea

V007-3454 Screening compound: 1-[(3-chlorophenyl)methyl]-1-{[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-ethylurea
V007-3454 Screening compound: 1-[(3-chlorophenyl)methyl]-1-{[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-3454
1-[(3-chlorophenyl)methyl]-1-{[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-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

V007-3454

Molecular Formula

C22H26ClN3O4 (C22 H26 ClN3 O4)

Compound Name

1-[(3-chlorophenyl)methyl]-1-{[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-ethylurea

IUPAC name

1-[(3-chlorophenyl)methyl]-1-{[3-(34-dimethoxyphenyl)-45-dihydro-12-oxazol-5-yl]methyl}-3-ethylurea

SMILES

CCNC(N(CC(C1)ON=C1c(cc1)cc(OC)c1OC)Cc1cccc(Cl)c1)=O

InChI

InChI=1S/C22H26ClN3O4/c1-4-24-22(27)26(13-15-6-5-7-17(23)10-15)14-18-12-19(25-30-18)16-8-9-20(28-2)21(11-16)29-3/h5-11,18H,4,12-14H2,1-3H3,(H,24,27)/t18-/m1/s1

InChI Key

JZBWQHWJOCEYEW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19793959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-4.25

Polar Surface Area

64.315

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with V007-3454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-3454?
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What is the minimum amount of V007-3454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-3454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-3454
  • 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 V007-3454 available by request