Y600-3017 Screening compound: methyl 3-[4-(aminosulfonyl)benzyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

Y600-3017 Screening compound: methyl 3-[4-(aminosulfonyl)benzyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate
Y600-3017 Screening compound: methyl 3-[4-(aminosulfonyl)benzyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-3017
methyl 3-[4-(aminosulfonyl)benzyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

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

Y600-3017

Molecular Formula

C17H15N3O5S2 (C17 H15 N3 O5 S2)

Compound Name

methyl 3-[4-(aminosulfonyl)benzyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

IUPAC name

methyl 4-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(NC(N2Cc(cc3)ccc3S(N)(=O)=O)=S)c1C2=O)=O

InChI

InChI=1S/C17H15N3O5S2/c1-25-16(22)11-4-7-13-14(8-11)19-17(26)20(15(13)21)9-10-2-5-12(6-3-10)27(18,23)24/h2-8H,9H2,1H3,(H,19,26)(H2,18,23,24)

InChI Key

GVPVYWWOBJYQAB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

1.909

Water Solubility, LogSw

-2.96

Polar Surface Area

99.095

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

Y600-3017 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-3017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-3017?
Check Price and Availability of Y600-3017, 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 Y600-3017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-3017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-3017
  • 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 Y600-3017 available by request