1013-0369 Screening compound: 2-[(2E)-2-[(2E)-3-(4-bromophenyl)prop-2-en-1-ylidene]hydrazin-1-yl]-4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine

1013-0369 Screening compound: 2-[(2E)-2-[(2E)-3-(4-bromophenyl)prop-2-en-1-ylidene]hydrazin-1-yl]-4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine
1013-0369 Screening compound: 2-[(2E)-2-[(2E)-3-(4-bromophenyl)prop-2-en-1-ylidene]hydrazin-1-yl]-4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0369
2-[(2E)-2-[(2E)-3-(4-bromophenyl)prop-2-en-1-ylidene]hydrazin-1-yl]-4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine

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

1013-0369

Molecular Formula

C20H24BrN7O (C20 H24 BrN7 O)

Compound Name

2-[(2E)-2-[(2E)-3-(4-bromophenyl)prop-2-en-1-ylidene]hydrazin-1-yl]-4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine

IUPAC name

2-[(2E)-2-[(2E)-3-(4-bromophenyl)prop-2-en-1-ylidene]hydrazin-1-yl]-4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-135-triazine

SMILES

Brc1ccc(/C=C/C=N/Nc2nc(N3CCOCC3)nc(N3CCCC3)n2)cc1

InChI

InChI=1S/C20H24BrN7O/c21-17-7-5-16(6-8-17)4-3-9-22-26-18-23-19(27-10-1-2-11-27)25-20(24-18)28-12-14-29-15-13-28/h3-9H,1-2,10-15H2,(H,23,24,25,26)

InChI Key

XCFDWJHDCOPAQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.441

Distribution Coefficient, logD

5.440

Water Solubility, LogSw

-5.75

Polar Surface Area

66.041

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

1013-0369 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1013-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1013-0369?
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What is the minimum amount of 1013-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0369
  • 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 1013-0369 available by request