8007-4175 Screening compound: N2-tert-butyl-6-chloro-N4-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

8007-4175 Screening compound: N2-tert-butyl-6-chloro-N4-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
8007-4175 Screening compound: N2-tert-butyl-6-chloro-N4-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4175
N2-tert-butyl-6-chloro-N4-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

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

8007-4175

Molecular Formula

C13H15ClN6O2 (C13 H15 ClN6 O2)

Compound Name

N2-tert-butyl-6-chloro-N4-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-tert-butyl-6-chloro-N4-(3-nitrophenyl)-135-triazine-24-diamine

SMILES

CC(C)(C)Nc1nc(Cl)nc(Nc2cc([N+]([O-])=O)ccc2)n1

InChI

InChI=1S/C13H15ClN6O2/c1-13(2,3)19-12-17-10(14)16-11(18-12)15-8-5-4-6-9(7-8)20(21)22/h4-7H,1-3H3,(H2,15,16,17,18,19)

InChI Key

GWXCWZXHWUQIEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-4.87

Polar Surface Area

83.731

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8007-4175 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4175?
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What is the minimum amount of 8007-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4175
  • 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 8007-4175 available by request