6056-0702 Screening compound: 2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline

6056-0702 Screening compound: 2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline
6056-0702 Screening compound: 2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-0702
2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline

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

6056-0702

Molecular Formula

C18H14ClN5O2S2 (C18 H14 ClN5 O2 S2)

Compound Name

2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline

IUPAC name

2-tert-butyl-6-chloro-4-[(4-nitro-213-benzothiadiazol-5-yl)sulfanyl]quinazoline

SMILES

CC(C)(C)c1nc(Sc(ccc2nsnc22)c2[N+]([O-])=O)c(cc(cc2)Cl)c2n1

InChI

InChI=1S/C18H14ClN5O2S2/c1-18(2,3)17-20-11-5-4-9(19)8-10(11)16(21-17)27-13-7-6-12-14(23-28-22-12)15(13)24(25)26/h4-8H,1-3H3

InChI Key

JQGGCCBWSVQNBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.762

Distribution Coefficient, logD

6.760

Water Solubility, LogSw

-6.53

Polar Surface Area

72.117

Acid Dissociation Constant (pKa)

30.41

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6056-0702 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6056-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-0702?
Check Price and Availability of 6056-0702, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6056-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-0702
  • 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 6056-0702 available by request