8017-5877 Screening compound: 4-amino-6-(diethylamino)-N'-(isobutyryloxy)-1,3,5-triazine-2-carboximidamide

8017-5877 Screening compound: 4-amino-6-(diethylamino)-N'-(isobutyryloxy)-1,3,5-triazine-2-carboximidamide
8017-5877 Screening compound: 4-amino-6-(diethylamino)-N'-(isobutyryloxy)-1,3,5-triazine-2-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5877
4-amino-6-(diethylamino)-N'-(isobutyryloxy)-1,3,5-triazine-2-carboximidamide

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

8017-5877

Molecular Formula

C12H21N7O2 (C12 H21 N7 O2)

Compound Name

4-amino-6-(diethylamino)-N'-(isobutyryloxy)-1,3,5-triazine-2-carboximidamide

IUPAC name

(Z)-{amino[4-amino-6-(diethylamino)-135-triazin-2-yl]methylidene}amino 2-methylpropanoate

SMILES

CCN(CC)c1nc(N)nc(/C(/N)=N/OC(C(C)C)=O)n1

InChI

InChI=1S/C12H21N7O2/c1-5-19(6-2)12-16-9(15-11(14)17-12)8(13)18-21-10(20)7(3)4/h7H,5-6H2,1-4H3,(H2,13,18)(H2,14,15,16,17)

InChI Key

NOUNDRQSSOVAQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.589

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-1.49

Polar Surface Area

104.377

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

References: we are preparing a list of scientific research reports with 8017-5877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5877?
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What is the minimum amount of 8017-5877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5877
  • 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 8017-5877 available by request