1013-0371 Screening compound: 4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2-iodobenzoate

1013-0371 Screening compound: 4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2-iodobenzoate
1013-0371 Screening compound: 4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0371
4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2-iodobenzoate

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

1013-0371

Molecular Formula

C25H26IN7O3 (C25 H26 IN7 O3)

Compound Name

4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2-iodobenzoate

IUPAC name

4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2-iodobenzoate

SMILES

O=C(c(cccc1)c1I)Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCCC3)n2)cc1

InChI

InChI=1S/C25H26IN7O3/c26-21-6-2-1-5-20(21)22(34)36-19-9-7-18(8-10-19)17-27-31-23-28-24(32-11-3-4-12-32)30-25(29-23)33-13-15-35-16-14-33/h1-2,5-10,17H,3-4,11-16H2,(H,28,29,30,31)

InChI Key

AJXJRFRIZGSWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.984

Distribution Coefficient, logD

5.960

Water Solubility, LogSw

-5.91

Polar Surface Area

85.787

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

1013-0371 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1013-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1013-0371?
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What is the minimum amount of 1013-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0371
  • 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 1013-0371 available by request