V015-0392 Screening compound: ETHYL 4-(4-{[(2-BROMOPHENYL)CARBAMOYL]AMINO}PHENYL)-1,6-DIMETHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

V015-0392 Screening compound: ETHYL 4-(4-{[(2-BROMOPHENYL)CARBAMOYL]AMINO}PHENYL)-1,6-DIMETHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
V015-0392 Screening compound: ETHYL 4-(4-{[(2-BROMOPHENYL)CARBAMOYL]AMINO}PHENYL)-1,6-DIMETHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0392
ETHYL 4-(4-{[(2-BROMOPHENYL)CARBAMOYL]AMINO}PHENYL)-1,6-DIMETHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

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

V015-0392

Molecular Formula

C22H23BrN4O3S (C22 H23 BrN4 O3 S)

Compound Name

ETHYL 4-(4-{[(2-BROMOPHENYL)CARBAMOYL]AMINO}PHENYL)-1,6-DIMETHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(C(C(c(cc1)ccc1NC(Nc(cccc1)c1Br)=O)N1)=C(C)N(C)C1=S)=O

InChI

InChI=1S/C22H23BrN4O3S/c1-4-30-20(28)18-13(2)27(3)22(31)26-19(18)14-9-11-15(12-10-14)24-21(29)25-17-8-6-5-7-16(17)23/h5-12,19H,4H2,1-3H3,(H,26,31)(H2,24,25,29)/t19-/m0/s1

InChI Key

RURWQAATXICZMJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14243113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.11

Polar Surface Area

66.871

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

V015-0392 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0392?
Check Price and Availability of V015-0392, 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 V015-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0392
  • 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 V015-0392 available by request