0532-0310 Screening compound: 4-(2-{1-[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-1H-1,2,3,4-tetrazol-5-yl}propan-2-yl)morpholine

0532-0310 Screening compound: 4-(2-{1-[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-1H-1,2,3,4-tetrazol-5-yl}propan-2-yl)morpholine
0532-0310 Screening compound: 4-(2-{1-[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-1H-1,2,3,4-tetrazol-5-yl}propan-2-yl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0532-0310
4-(2-{1-[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-1H-1,2,3,4-tetrazol-5-yl}propan-2-yl)morpholine

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

0532-0310

Molecular Formula

C21H29Cl2N5O (C21 H29 Cl2 N5 O)

Compound Name

4-(2-{1-[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-1H-1,2,3,4-tetrazol-5-yl}propan-2-yl)morpholine

IUPAC name

4-(2-{1-[(1E)-1-(24-dichlorophenyl)-44-dimethylpent-1-en-3-yl]-1H-1234-tetrazol-5-yl}propan-2-yl)morpholine

SMILES

CC(C)(C)C(/C=C/c(ccc(Cl)c1)c1Cl)n1nnnc1C(C)(C)N1CCOCC1

InChI

InChI=1S/C21H29Cl2N5O/c1-20(2,3)18(9-7-15-6-8-16(22)14-17(15)23)28-19(24-25-26-28)21(4,5)27-10-12-29-13-11-27/h6-9,14,18H,10-13H2,1-5H3/t18-/m1/s1

InChI Key

VSLJBRUOVBWFNV-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00345117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.344

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.96

Polar Surface Area

50.792

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

0532-0310 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0532-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0532-0310?
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What is the minimum amount of 0532-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0532-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0532-0310
  • 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 0532-0310 available by request