Y021-1784 Screening compound: 2-{[{[(4-chloroanilino)carbothioyl]amino}(imino)methyl]amino}-6-methoxy-4-methylquinazoline

Y021-1784 Screening compound: 2-{[{[(4-chloroanilino)carbothioyl]amino}(imino)methyl]amino}-6-methoxy-4-methylquinazoline
Y021-1784 Screening compound: 2-{[{[(4-chloroanilino)carbothioyl]amino}(imino)methyl]amino}-6-methoxy-4-methylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1784
2-{[{[(4-chloroanilino)carbothioyl]amino}(imino)methyl]amino}-6-methoxy-4-methylquinazoline

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

Y021-1784

Molecular Formula

C18H17ClN6OS (C18 H17 ClN6 OS)

Compound Name

2-{[{[(4-chloroanilino)carbothioyl]amino}(imino)methyl]amino}-6-methoxy-4-methylquinazoline

IUPAC name

1-(4-chlorophenyl)-3-[N-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]thiourea

SMILES

Cc(c1c2)nc(NC(NC(Nc(cc3)ccc3Cl)=S)=N)nc1ccc2OC

InChI

InChI=1S/C18H17ClN6OS/c1-10-14-9-13(26-2)7-8-15(14)23-17(21-10)24-16(20)25-18(27)22-12-5-3-11(19)4-6-12/h3-9H,1-2H3,(H4,20,21,22,23,24,25,27)

InChI Key

APVVROHAABVKEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04191726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

1.471

Water Solubility, LogSw

-4.73

Polar Surface Area

74.296

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

10.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with Y021-1784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1784?
Check Price and Availability of Y021-1784, 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 Y021-1784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1784
  • 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 Y021-1784 available by request